data_2d9a_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 2d9a _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.2 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 54' ' ' LEU . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 37' ' ' HIS . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.456 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.504 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.515 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.515 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 37' ' ' HIS . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 15' ' ' GLU . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 50' ' ' TRP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 11.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.554 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.423 HG23 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.423 ' CG ' HG23 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.476 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.522 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.5 m95 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.518 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.466 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 m95 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 37' ' ' HIS . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.64 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' PHE . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.4 m95 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 21' ' ' ALA . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.412 ' C ' ' CG2' ' A' ' 42' ' ' THR . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 16.3 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 37' ' ' HIS . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 50' ' ' TRP . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB2' ' N ' ' A' ' 43' ' ' ASP . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.522 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' ALA . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 40' ' ' ASN . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CH2' HG11 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 4.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.547 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.477 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.2 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.494 ' OD2' ' CD2' ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 43' ' ' ASP . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.52 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.7 m95 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' GLY . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.585 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' TRP . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.465 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.521 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD23 ' CZ3' ' A' ' 11' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.507 ' OE1' ' CZ2' ' A' ' 50' ' ' TRP . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.525 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.1 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.519 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CZ3' ' O ' ' A' ' 15' ' ' GLU . 3.7 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.481 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.481 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 ' CZ3' ' A' ' 50' ' ' TRP . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TRP . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASN . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.468 HG23 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.468 ' CG ' HG23 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NE ' ' CG2' ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' NE ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HE2' ' NH2' ' A' ' 41' ' ' ARG . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' A' ' 54' ' ' LEU . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 37' ' ' HIS . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG1' ' OE1' ' A' ' 28' ' ' GLN . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.588 ' NH2' ' HE2' ' A' ' 15' ' ' GLU . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.519 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' CH2' ' A' ' 50' ' ' TRP . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.592 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' HIS . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.455 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.461 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.6 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' CZ3' ' A' ' 50' ' ' TRP . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TRP . . . . . 0.513 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.64 -78.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -124.79 136.75 54.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.86 167.37 25.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 121.22 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.35 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.58 116.66 1.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -86.13 178.06 7.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t 63.92 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.37 158.56 16.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.2 m95 -141.65 139.92 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 ' CD2' HD13 ' A' ' 54' ' ' LEU . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 HD23 ' CD2' ' A' ' 37' ' ' HIS . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.565 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.603 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.456 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.504 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.504 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -167.69 109.39 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.85 172.12 13.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.31 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 111.57 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -59.97 120.84 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -99.24 -58.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 0.824 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.77 157.54 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.89 173.74 47.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -167.98 -57.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 0.72 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t 57.81 84.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -107.27 2.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 113.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.88 126.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 113.57 26.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.4 m95 -83.4 170.83 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 108.0 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.434 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.572 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.572 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.515 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.515 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -148.48 95.75 2.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.78 157.25 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.42 8.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -104.63 158.35 16.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 p -54.59 145.8 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.08 129.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -144.61 4.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 p -150.89 -57.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.9 157.51 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 176.76 43.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -63.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 60.2 t -42.12 161.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.92 128.48 56.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.502 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 16.6 m95 -114.37 151.63 32.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 107.987 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD11 ' CG ' ' A' ' 37' ' ' HIS . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.463 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.473 ' CG ' HD11 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' NH1' ' OE2' ' A' ' 15' ' ' GLU . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.471 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.507 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.471 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.507 ' C ' ' O ' ' A' ' 50' ' ' TRP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p -147.65 98.29 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.64 174.86 33.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.56 11.06 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.2 m -151.69 -57.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.65 84.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 111.051 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 51.1 m -150.36 165.84 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 67.07 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -171.38 147.12 10.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -131.67 137.16 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 130.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -154.31 17.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.94 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.23 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.1 m -87.34 178.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 102.97 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.546 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 11.5 m95 -83.3 157.97 22.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 108.054 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.554 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.554 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.473 ' HA ' ' CD1' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.423 HG23 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.423 ' CG ' HG23 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.476 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.522 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.476 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.522 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.41 123.85 43.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.52 155.15 3.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.01 6.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -136.38 92.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.2 m -75.26 92.63 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -103.36 168.64 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.46 118.84 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -70.7 0.28 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.56 164.07 27.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.946 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.22 106.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.44 -151.62 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.569 1.168 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -64.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.243 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -107.12 139.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.17 117.16 23.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -103.0 147.87 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.921 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.546 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.546 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.466 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.518 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.466 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p -126.04 154.72 42.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.74 -164.58 54.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 170.69 19.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -90.72 127.15 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m 61.85 90.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -122.89 122.12 37.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -173.81 123.9 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 93.12 0.1 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.71 82.44 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -172.09 154.39 3.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.13 178.62 16.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.39 -66.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 15.7 m -83.07 102.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -68.39 95.65 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.0 m95 -61.39 166.32 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.416 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 37' ' ' HIS . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.559 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.64 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.64 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' PHE . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.509 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.27 -56.41 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.64 75.15 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.84 -57.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 p -152.39 144.24 23.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -98.38 100.36 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -143.81 -56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 127.19 24.69 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -70.52 138.97 51.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.806 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -96.63 166.72 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 135.63 3.33 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.0 mmmt -131.54 124.77 30.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.405 0.709 . . . . 0.0 109.354 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.6 m 43.64 -164.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -134.76 106.61 7.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -94.2 112.86 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.451 ' N ' ' C ' ' A' ' 21' ' ' ALA . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.594 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.412 ' C ' ' CG2' ' A' ' 42' ' ' THR . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.468 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -143.09 -67.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 171.36 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 109.72 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.45 118.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -175.44 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.18 131.61 10.52 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.09 145.47 20.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 162.19 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.51 79.1 0.08 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -72.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -144.34 116.29 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 124.49 31.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CD1' ' HD3' ' A' ' 49' ' ' ARG . 16.3 m95 -101.17 153.3 19.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 37' ' ' HIS . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.566 HG11 ' CH2' ' A' ' 50' ' ' TRP . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.599 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.482 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.407 ' HB2' ' N ' ' A' ' 43' ' ' ASP . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.522 ' CD2' HD23 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.401 ' O ' ' O ' ' A' ' 35' ' ' ALA . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.413 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.413 ' NH1' ' HB3' ' A' ' 40' ' ' ASN . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.575 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.566 ' CH2' HG11 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.469 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -146.41 128.76 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.04 151.35 0.41 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.24 14.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 p -166.07 -66.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 -58.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.073 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.41 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -83.42 119.54 24.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.12 179.59 39.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 54.67 82.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.34 103.97 2.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 1.062 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.16 93.49 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -45.56 164.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG11 ' NH2' ' A' ' 41' ' ' ARG . 58.6 t -89.44 -68.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.12 97.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.517 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 4.3 m95 -75.04 141.82 43.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.517 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.547 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.547 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.477 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t -174.65 110.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 159.16 33.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 59.95 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -102.54 144.54 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.6 p -89.43 80.39 6.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.41 160.45 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -100.55 122.08 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.096 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 71.86 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -60.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -78.75 96.91 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 87.76 1.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.2 mptm? -134.16 155.19 50.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.2 t 68.72 -68.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 8' ' ' LYS . 22.7 mttt 68.96 83.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -60.04 126.72 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.494 ' OD2' ' CD2' ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.494 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.51 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.437 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.5 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.422 ' HB2' ' N ' ' A' ' 43' ' ' ASP . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' N ' ' HB2' ' A' ' 35' ' ' ALA . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.52 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.52 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -130.41 142.24 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.36 157.75 30.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 77.85 3.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.97 162.07 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.6 t -150.25 -58.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.6 1.188 . . . . 0.0 111.017 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -65.19 158.37 26.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 0.712 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.5 -59.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.23 60.57 0.66 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.56 105.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -149.75 109.15 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.65 -68.64 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 167.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.57 129.04 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -78.32 101.9 7.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -93.77 122.3 36.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.0 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.507 ' O ' ' N ' ' A' ' 27' ' ' GLY . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.585 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' TRP . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.569 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.465 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.516 ' O ' ' C ' ' A' ' 54' ' ' LEU . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.569 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.465 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.22 93.95 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.81 97.61 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 142.41 27.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.13 156.06 34.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -172.74 105.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.087 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 -70.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.87 125.41 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.95 151.68 10.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -73.69 159.23 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.39 130.26 55.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 171.34 38.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.461 1.1 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 128.46 55.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 0.72 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.0 t -135.88 143.05 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.235 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -121.95 138.18 54.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 -118.77 144.09 46.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.405 ' CD2' HD11 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.451 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.463 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.558 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.558 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.488 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.521 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -118.69 147.71 43.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.31 -70.28 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 84.75 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.42 1.748 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -49.06 132.06 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -81.59 114.81 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.052 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 59.4 168.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.92 104.66 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.14 96.84 0.16 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -169.04 123.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.79 89.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.83 150.21 17.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.09 128.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.5 HG12 ' CD1' ' A' ' 11' ' ' TRP . 9.7 p -131.34 134.43 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -83.04 122.94 28.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 -127.38 143.05 51.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.452 ' C ' ' N ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' N ' ' C ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD23 ' CZ3' ' A' ' 11' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.564 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.507 ' OE1' ' CZ2' ' A' ' 50' ' ' TRP . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.525 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.463 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.525 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.34 124.27 50.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.68 -144.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 60.64 5.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m 61.58 153.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 p -108.03 117.88 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 62.4 85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 110.074 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 99.53 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 79.24 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.0 148.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -68.62 -57.34 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.77 -153.62 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG21 ' N ' ' A' ' 10' ' ' LYS . 7.6 p -118.75 144.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' N ' HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -69.76 124.6 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.1 m95 -121.31 112.48 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.502 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.434 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.5 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.5 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.583 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CZ ' HG22 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.519 ' O ' ' C ' ' A' ' 54' ' ' LEU . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 HG22 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -137.43 136.44 37.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.9 85.43 1.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 135.92 19.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.6 153.63 46.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -130.95 107.14 8.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.436 1.085 . . . . 0.0 111.079 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m 56.68 85.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -82.44 83.26 7.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.57 157.72 15.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -61.79 134.7 57.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -73.59 -63.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 -168.38 12.61 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 64.53 117.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.394 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.1 p -171.72 149.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 126.51 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CZ3' ' O ' ' A' ' 15' ' ' GLU . 3.7 m95 -130.19 97.79 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 107.979 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' O ' ' CD2' ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.582 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.415 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.481 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.481 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t -168.68 77.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.72 172.58 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 101.79 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.11 160.12 32.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 m 59.81 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 163.4 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -148.77 134.99 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.46 90.27 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.586 1.179 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -40.22 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -101.85 -61.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.48 -154.09 7.73 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -62.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG21 ' CZ ' ' A' ' 41' ' ' ARG . 8.6 p -160.31 164.17 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -129.4 90.92 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 -77.26 151.75 34.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.57 HG22 ' CZ3' ' A' ' 50' ' ' TRP . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.58 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.595 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 31' ' ' TRP . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 40' ' ' ASN . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' CZ ' HG21 ' A' ' 9' ' ' VAL . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.57 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.473 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t -133.93 108.59 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.58 -147.88 20.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 70.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.46 -55.4 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -68.0 128.76 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -109.43 99.84 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 109.92 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -105.95 156.11 18.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.11 -170.72 30.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -62.5 -61.91 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.68 -59.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.68 -137.73 14.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -152.46 136.66 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.407 HG13 ' NE2' ' A' ' 45' ' ' GLN . 5.5 m -58.65 130.73 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.82 120.19 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 -132.86 118.72 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.442 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.446 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 28' ' ' GLN . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.566 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.566 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.468 HG23 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.468 ' CG ' HG23 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.489 ' NE ' ' CG2' ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' NE ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p -116.04 99.74 7.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.57 118.77 4.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.42 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 121.6 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 m -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 111.74 9.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -158.26 94.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 -67.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 p -117.55 157.79 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.04 168.78 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.83 -67.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -50.25 -63.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 m -107.02 112.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -91.23 111.49 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 11.7 m95 -80.87 157.6 25.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.588 ' HE2' ' NH2' ' A' ' 41' ' ' ARG . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.457 ' CD2' HD11 ' A' ' 54' ' ' LEU . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD22 ' CD2' ' A' ' 37' ' ' HIS . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' CG1' ' OE1' ' A' ' 28' ' ' GLN . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.472 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.472 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.593 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.593 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.562 ' CD2' HD22 ' A' ' 22' ' ' LEU . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.588 ' NH2' ' HE2' ' A' ' 15' ' ' GLU . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.584 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.472 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.519 ' O ' ' C ' ' A' ' 54' ' ' LEU . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.449 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.584 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.472 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.449 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t -178.9 144.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.43 172.63 22.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 59.9 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.7 p -177.88 121.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 t -124.62 163.55 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.15 91.77 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.25 163.04 20.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 121.69 15.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -155.59 87.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 0.722 . . . . 0.0 110.039 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -61.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 166.21 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 5.0 p -116.11 166.12 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' N ' ' CG2' ' A' ' 9' ' ' VAL . 3.6 mptt -90.33 119.52 30.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 -137.31 131.57 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.423 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.561 HG13 ' CH2' ' A' ' 50' ' ' TRP . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.513 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.592 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' A' ' 37' ' ' HIS . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.546 ' NH2' ' CG2' ' A' ' 9' ' ' VAL . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.455 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.571 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.461 ' CZ ' HG23 ' A' ' 53' ' ' VAL . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 54' ' ' LEU . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 HG23 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 80.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.21 -158.79 20.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.57 33.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -65.54 123.96 21.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.24 80.26 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -140.91 -58.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t 59.98 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 67.26 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -121.47 104.5 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -149.5 -55.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 174.26 9.55 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.32 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.5 p -50.81 111.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.55 130.2 45.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -125.27 127.38 46.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.452 ' HB3' ' CD2' ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.513 HG22 ' CZ3' ' A' ' 50' ' ' TRP . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 28' ' ' GLN . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TRP . . . . . 0.513 ' CZ3' HG22 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.46 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -163.78 -58.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.79 73.72 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.576 1.172 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -111.61 113.35 25.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m 64.39 165.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.2 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 14' ' ' GLU . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' THR . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.73 HD11 ' HZ3' ' A' ' 31' ' ' TRP . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 34' ' ' LEU . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG21 ' CZ3' ' A' ' 50' ' ' TRP . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.73 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.661 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.804 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.4 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' OD2' HD21 ' A' ' 54' ' ' LEU . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 19' ' ' LEU . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.75 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.765 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LEU . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.674 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 51' ' ' LEU . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.674 HG21 ' NE ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.51 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.6 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.692 ' OD1' HD21 ' A' ' 54' ' ' LEU . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.801 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.761 ' HB3' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.701 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.604 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.604 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.692 HD21 ' OD1' ' A' ' 16' ' ' ASP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.877 ' OD1' HD21 ' A' ' 54' ' ' LEU . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.988 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.858 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' CG ' HG22 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.731 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.731 HG21 ' NE ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.877 HD21 ' OD1' ' A' ' 16' ' ' ASP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.5 m95 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.4 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.61 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 22' ' ' LEU . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 45' ' ' GLN . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 42' ' ' THR . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.657 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.599 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.657 HG21 ' NE ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.0 m95 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.682 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 22' ' ' LEU . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.434 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.696 ' NE ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.696 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 6.4 m95 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 ' HB3' HD22 ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.647 ' HA ' HD12 ' A' ' 34' ' ' LEU . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CZ ' ' CE1' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.427 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.741 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.741 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 16.3 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 34' ' ' LEU . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 19' ' ' LEU . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.801 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.775 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 22' ' ' LEU . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PHE . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.61 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.919 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 4.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 22' ' ' LEU . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 45' ' ' GLN . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 42' ' ' THR . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.622 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 4.2 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 18' ' ' GLN . 0.2 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 19' ' ' LEU . 5.7 m95 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 1.014 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 19' ' ' LEU . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.657 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.747 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.864 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.894 HG23 ' H ' ' A' ' 14' ' ' GLU . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.894 ' H ' HG23 ' A' ' 12' ' ' THR . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.802 ' HB3' HD22 ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.74 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.57 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.688 ' NE ' HG21 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.688 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 19' ' ' LEU . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.852 HG23 ' H ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.852 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.672 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.814 HG13 ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.814 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.672 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 31' ' ' TRP . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 19' ' ' LEU . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 3.1 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.729 ' HB3' HD22 ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 19' ' ' LEU . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 22' ' ' LEU . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 44' ' ' GLN . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.583 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.797 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.564 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CZ3' ' O ' ' A' ' 15' ' ' GLU . 3.7 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.664 ' HB3' HD22 ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.923 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.923 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 23' ' ' VAL . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 34' ' ' LEU . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.581 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.822 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 22' ' ' LEU . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.708 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.85 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.708 HG21 ' NE ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 19' ' ' LEU . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 22' ' ' LEU . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' HG22 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.853 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.853 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.64 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.747 ' HB3' HD22 ' A' ' 34' ' ' LEU . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 19' ' ' LEU . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.798 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.685 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.623 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.685 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.629 HD12 HD23 ' A' ' 19' ' ' LEU . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 14' ' ' GLU . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.818 ' H ' HG23 ' A' ' 12' ' ' THR . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.97 HD22 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.97 HG23 HD22 ' A' ' 19' ' ' LEU . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 22' ' ' LEU . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.441 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CH2' HG11 ' A' ' 23' ' ' VAL . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 3.6 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD22 ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 19' ' ' LEU . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 22' ' ' LEU . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.677 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TRP . . . . . 0.781 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.64 -78.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -124.79 136.75 54.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.86 167.37 25.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 121.22 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.35 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.58 116.66 1.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -86.13 178.06 7.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t 63.92 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.37 158.56 16.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.2 m95 -141.65 139.92 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 14' ' ' GLU . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' THR . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.73 HD11 ' HZ3' ' A' ' 31' ' ' TRP . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 34' ' ' LEU . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG21 ' CZ3' ' A' ' 50' ' ' TRP . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.73 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.661 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.804 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -167.69 109.39 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.85 172.12 13.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.31 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 111.57 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -59.97 120.84 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -99.24 -58.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 0.824 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.77 157.54 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.89 173.74 47.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -167.98 -57.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 0.72 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t 57.81 84.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -107.27 2.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 113.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.88 126.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 113.57 26.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.4 m95 -83.4 170.83 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' OD2' HD21 ' A' ' 54' ' ' LEU . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 19' ' ' LEU . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.75 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.765 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LEU . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 51' ' ' LEU . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.674 HG21 ' NE ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -148.48 95.75 2.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.78 157.25 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.42 8.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -104.63 158.35 16.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 p -54.59 145.8 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.08 129.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -144.61 4.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 p -150.89 -57.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.9 157.51 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 176.76 43.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -63.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 10' ' ' LYS . 60.2 t -42.12 161.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -112.92 128.48 56.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.51 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.6 m95 -114.37 151.63 32.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 107.987 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.692 ' OD1' HD21 ' A' ' 54' ' ' LEU . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.801 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.761 ' HB3' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.701 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' HA ' ' NE2' ' A' ' 45' ' ' GLN . 7.8 mm-40 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.604 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.604 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.692 HD21 ' OD1' ' A' ' 16' ' ' ASP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p -147.65 98.29 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.64 174.86 33.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.56 11.06 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.2 m -151.69 -57.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.65 84.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 111.051 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 51.1 m -150.36 165.84 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 67.07 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -171.38 147.12 10.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -131.67 137.16 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 130.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -154.31 17.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.94 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.23 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' HD1' ' A' ' 11' ' ' TRP . 17.1 m -87.34 178.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 102.97 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.5 m95 -83.3 157.97 22.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 108.054 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.877 ' OD1' HD21 ' A' ' 54' ' ' LEU . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.988 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.858 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' CG ' HG22 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.731 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.731 HG21 ' NE ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.877 HD21 ' OD1' ' A' ' 16' ' ' ASP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.41 123.85 43.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.52 155.15 3.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.01 6.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -136.38 92.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.2 m -75.26 92.63 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -103.36 168.64 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.46 118.84 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -70.7 0.28 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.56 164.07 27.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.946 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.22 106.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.44 -151.62 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.569 1.168 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -64.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.243 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -107.12 139.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.17 117.16 23.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.5 m95 -103.0 147.87 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.921 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.4 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.61 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 22' ' ' LEU . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 45' ' ' GLN . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 42' ' ' THR . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.657 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.599 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.657 HG21 ' NE ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p -126.04 154.72 42.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.74 -164.58 54.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 170.69 19.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -90.72 127.15 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m 61.85 90.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -122.89 122.12 37.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -173.81 123.9 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 93.12 0.1 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.71 82.44 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -172.09 154.39 3.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.13 178.62 16.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.39 -66.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' VAL . 15.7 m -83.07 102.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -68.39 95.65 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.0 m95 -61.39 166.32 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.682 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 22' ' ' LEU . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.434 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.696 ' NE ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.696 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.27 -56.41 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.64 75.15 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.84 -57.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 p -152.39 144.24 23.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -98.38 100.36 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -143.81 -56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 127.19 24.69 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -70.52 138.97 51.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.806 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -96.63 166.72 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 135.63 3.33 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.0 mmmt -131.54 124.77 30.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.405 0.709 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 8' ' ' LYS . 19.6 m 43.64 -164.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -134.76 106.61 7.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 6.4 m95 -94.2 112.86 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 ' HB3' HD22 ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.647 ' HA ' HD12 ' A' ' 34' ' ' LEU . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.427 ' CZ ' ' CE1' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.427 ' CE1' ' CZ ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.741 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.741 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -143.09 -67.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 171.36 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 109.72 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.45 118.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -175.44 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.18 131.61 10.52 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.09 145.47 20.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 162.19 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.51 79.1 0.08 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -72.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -144.34 116.29 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 124.49 31.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 16.3 m95 -101.17 153.3 19.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 34' ' ' LEU . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 19' ' ' LEU . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.801 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.775 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 22' ' ' LEU . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PHE . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.61 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.919 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -146.41 128.76 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.04 151.35 0.41 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.24 14.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 p -166.07 -66.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 -58.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.073 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.41 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -83.42 119.54 24.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.12 179.59 39.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 54.67 82.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.34 103.97 2.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 1.062 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.16 93.49 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -45.56 164.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' NH2' ' A' ' 41' ' ' ARG . 58.6 t -89.44 -68.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.12 97.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 4.3 m95 -75.04 141.82 43.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 22' ' ' LEU . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 45' ' ' GLN . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 42' ' ' THR . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.622 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t -174.65 110.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 159.16 33.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 59.95 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -102.54 144.54 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.6 p -89.43 80.39 6.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.41 160.45 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -100.55 122.08 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.096 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 71.86 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -60.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -78.75 96.91 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 87.76 1.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.2 mptm? -134.16 155.19 50.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.2 t 68.72 -68.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 8' ' ' LYS . 22.7 mttt 68.96 83.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 4.2 m95 -60.04 126.72 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.59 ' HA ' HE21 ' A' ' 18' ' ' GLN . 0.2 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -130.41 142.24 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.36 157.75 30.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 77.85 3.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.97 162.07 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.6 t -150.25 -58.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.6 1.188 . . . . 0.0 111.017 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -65.19 158.37 26.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 0.712 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.5 -59.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.23 60.57 0.66 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.56 105.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -149.75 109.15 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.65 -68.64 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 167.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.57 129.04 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -78.32 101.9 7.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 19' ' ' LEU . 5.7 m95 -93.77 122.3 36.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 1.014 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 19' ' ' LEU . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.657 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.747 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.864 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.22 93.95 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.81 97.61 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 142.41 27.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.13 156.06 34.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -172.74 105.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.087 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 -70.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.87 125.41 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.95 151.68 10.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -73.69 159.23 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.39 130.26 55.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 171.34 38.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.461 1.1 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 128.46 55.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 0.72 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.537 HG21 ' OE1' ' A' ' 45' ' ' GLN . 48.0 t -135.88 143.05 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.235 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -121.95 138.18 54.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 -118.77 144.09 46.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.894 HG23 ' H ' ' A' ' 14' ' ' GLU . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.894 ' H ' HG23 ' A' ' 12' ' ' THR . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.802 ' HB3' HD22 ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.74 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.57 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.537 ' OE1' HG21 ' A' ' 9' ' ' VAL . 15.1 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.688 ' NE ' HG21 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.688 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 19' ' ' LEU . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -118.69 147.71 43.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.31 -70.28 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 84.75 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.42 1.748 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -49.06 132.06 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -81.59 114.81 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.052 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 59.4 168.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.92 104.66 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.14 96.84 0.16 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -169.04 123.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.79 89.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.83 150.21 17.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.09 128.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 11' ' ' TRP . 9.7 p -131.34 134.43 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -83.04 122.94 28.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 -127.38 143.05 51.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.852 HG23 ' H ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.852 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.672 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.814 HG13 ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.814 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.672 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 31' ' ' TRP . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.2 mm100 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 19' ' ' LEU . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.34 124.27 50.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.68 -144.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 60.64 5.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m 61.58 153.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 p -108.03 117.88 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 62.4 85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 110.074 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 99.53 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 79.24 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.0 148.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -68.62 -57.34 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.77 -153.62 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 11' ' ' TRP . 7.6 p -118.75 144.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.76 124.6 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 3.1 m95 -121.31 112.48 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.729 ' HB3' HD22 ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 19' ' ' LEU . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 22' ' ' LEU . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 44' ' ' GLN . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.583 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.797 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.564 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -137.43 136.44 37.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.9 85.43 1.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 135.92 19.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.6 153.63 46.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -130.95 107.14 8.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.436 1.085 . . . . 0.0 111.079 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m 56.68 85.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -82.44 83.26 7.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.57 157.72 15.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -61.79 134.7 57.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -73.59 -63.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 -168.38 12.61 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 64.53 117.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.394 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.727 HG13 ' CD1' ' A' ' 11' ' ' TRP . 9.1 p -171.72 149.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 126.51 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.727 ' CD1' HG13 ' A' ' 9' ' ' VAL . 3.7 m95 -130.19 97.79 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 107.979 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.664 ' HB3' HD22 ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.67 HH12 HG21 ' A' ' 9' ' ' VAL . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.923 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.923 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t -168.68 77.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.72 172.58 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 101.79 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.11 160.12 32.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 m 59.81 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 163.4 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -148.77 134.99 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.46 90.27 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.586 1.179 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -40.22 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -101.85 -61.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.48 -154.09 7.73 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -62.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 8.6 p -160.31 164.17 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -129.4 90.92 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 -77.26 151.75 34.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 23' ' ' VAL . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 34' ' ' LEU . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.581 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.822 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 22' ' ' LEU . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' NH2' ' CG2' ' A' ' 9' ' ' VAL . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.708 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.85 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.708 HG21 ' NE ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t -133.93 108.59 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.58 -147.88 20.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 70.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.46 -55.4 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -68.0 128.76 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -109.43 99.84 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 109.92 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -105.95 156.11 18.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.11 -170.72 30.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -62.5 -61.91 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.68 -59.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.68 -137.73 14.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -152.46 136.66 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG11 ' NE2' ' A' ' 45' ' ' GLN . 5.5 m -58.65 130.73 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.82 120.19 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 -132.86 118.72 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 19' ' ' LEU . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 22' ' ' LEU . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' HG22 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.853 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.853 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p -116.04 99.74 7.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.57 118.77 4.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.42 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 121.6 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 m -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 111.74 9.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -158.26 94.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 -67.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 p -117.55 157.79 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.04 168.78 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.83 -67.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -50.25 -63.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 m -107.02 112.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -91.23 111.49 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.7 m95 -80.87 157.6 25.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.64 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.747 ' HB3' HD22 ' A' ' 34' ' ' LEU . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 19' ' ' LEU . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.798 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.685 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.623 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.685 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.629 HD12 HD23 ' A' ' 19' ' ' LEU . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t -178.9 144.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.43 172.63 22.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 59.9 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.7 p -177.88 121.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 t -124.62 163.55 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.15 91.77 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.25 163.04 20.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 121.69 15.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -155.59 87.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 0.722 . . . . 0.0 110.039 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -61.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 166.21 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 5.0 p -116.11 166.12 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' N ' HG22 ' A' ' 9' ' ' VAL . 3.6 mptt -90.33 119.52 30.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 -137.31 131.57 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 14' ' ' GLU . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.818 ' H ' HG23 ' A' ' 12' ' ' THR . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.97 HD22 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.97 HG23 HD22 ' A' ' 19' ' ' LEU . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 22' ' ' LEU . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.546 ' NH2' ' CG2' ' A' ' 9' ' ' VAL . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.441 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CH2' HG11 ' A' ' 23' ' ' VAL . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 80.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.21 -158.79 20.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.57 33.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -65.54 123.96 21.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.24 80.26 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -140.91 -58.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t 59.98 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 67.26 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -121.47 104.5 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -149.5 -55.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 174.26 9.55 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.32 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.43 HG11 ' OE1' ' A' ' 45' ' ' GLN . 3.5 p -50.81 111.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.55 130.2 45.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 3.6 m95 -125.27 127.38 46.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD22 ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 19' ' ' LEU . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 22' ' ' LEU . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' OE1' HG11 ' A' ' 9' ' ' VAL . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.677 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TRP . . . . . 0.781 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -163.78 -58.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.79 73.72 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.576 1.172 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -111.61 113.35 25.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m 64.39 165.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.2 m95 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 14' ' ' GLU . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' THR . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.438 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.73 HD11 ' HZ3' ' A' ' 31' ' ' TRP . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 34' ' ' LEU . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.804 HG21 ' CZ3' ' A' ' 50' ' ' TRP . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.73 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.661 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.804 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.4 m95 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.518 ' OD2' HD21 ' A' ' 54' ' ' LEU . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 19' ' ' LEU . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.75 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.765 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LEU . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.674 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 51' ' ' LEU . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.674 HG21 ' NE ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.51 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.6 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.692 ' OD1' HD21 ' A' ' 54' ' ' LEU . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.801 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.761 ' HB3' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.701 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.604 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.604 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.692 HD21 ' OD1' ' A' ' 16' ' ' ASP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.5 m95 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.877 ' OD1' HD21 ' A' ' 54' ' ' LEU . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.988 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.858 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.43 ' CG ' HG22 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.731 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.731 HG21 ' NE ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.877 HD21 ' OD1' ' A' ' 16' ' ' ASP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.5 m95 . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 107.921 -1.14 . . . . 0.0 107.921 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.61 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 22' ' ' LEU . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 45' ' ' GLN . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 42' ' ' THR . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.657 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.599 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.657 HG21 ' NE ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.0 m95 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.682 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 22' ' ' LEU . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.434 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.696 ' NE ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.696 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 6.4 m95 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 ' HB3' HD22 ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.647 ' HA ' HD12 ' A' ' 34' ' ' LEU . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.741 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.741 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 16.3 m95 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 34' ' ' LEU . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 19' ' ' LEU . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.801 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.775 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 22' ' ' LEU . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PHE . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.61 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.919 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 4.3 m95 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 22' ' ' LEU . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 45' ' ' GLN . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 42' ' ' THR . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.622 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 4.2 m95 . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 19' ' ' LEU . 5.7 m95 . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 1.014 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 19' ' ' LEU . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.657 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.747 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.864 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.894 HG23 ' H ' ' A' ' 14' ' ' GLU . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.894 ' H ' HG23 ' A' ' 12' ' ' THR . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.802 ' HB3' HD22 ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.73 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.74 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.57 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.688 ' NE ' HG21 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.688 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 19' ' ' LEU . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.852 HG23 ' H ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.852 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.672 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.814 HG13 ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.814 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.672 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 31' ' ' TRP . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 19' ' ' LEU . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 3.1 m95 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.729 ' HB3' HD22 ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 19' ' ' LEU . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.772 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 22' ' ' LEU . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 44' ' ' GLN . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.583 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.797 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.564 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.516 ' CZ3' ' O ' ' A' ' 15' ' ' GLU . 3.7 m95 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.664 ' HB3' HD22 ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.923 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.923 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 23' ' ' VAL . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 34' ' ' LEU . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.581 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.822 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 22' ' ' LEU . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.43 ' HB2' ' CB ' ' A' ' 38' ' ' PHE . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.708 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.85 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.708 HG21 ' NE ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 108.015 -1.106 . . . . 0.0 108.015 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 19' ' ' LEU . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 22' ' ' LEU . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' HG22 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.853 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.853 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.7 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.64 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.747 ' HB3' HD22 ' A' ' 34' ' ' LEU . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 19' ' ' LEU . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.798 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.685 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.623 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.685 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.629 HD12 HD23 ' A' ' 19' ' ' LEU . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 14' ' ' GLU . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.818 ' H ' HG23 ' A' ' 12' ' ' THR . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.97 HD22 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.97 HG23 HD22 ' A' ' 19' ' ' LEU . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 22' ' ' LEU . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.443 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.441 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CH2' HG11 ' A' ' 23' ' ' VAL . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 3.6 m95 . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD22 ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 19' ' ' LEU . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 22' ' ' LEU . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.677 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TRP . . . . . 0.781 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.64 -78.26 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 0.77 . . . . 0.0 109.982 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -124.79 136.75 54.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.999 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.86 167.37 25.2 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.544 1.152 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.54 121.22 2.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 0.765 . . . . 0.0 109.953 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.35 129.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.143 . . . . 0.0 110.011 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.58 116.66 1.31 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -86.13 178.06 7.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 0.772 . . . . 0.0 109.348 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.7 t 63.92 133.29 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.37 158.56 16.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.2 m95 -141.65 139.92 33.14 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.651 HG23 ' H ' ' A' ' 14' ' ' GLU . 5.8 t -120.74 177.53 5.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.441 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -18.71 33.58 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.649 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.651 ' H ' HG23 ' A' ' 12' ' ' THR . 3.3 tt0 -70.77 -69.0 0.39 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.488 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 0.2 OUTLIER -52.04 -58.95 5.0 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.261 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.438 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.7 OUTLIER -42.57 -59.08 2.02 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.33 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -54.74 -47.38 73.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.326 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -58.69 7.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 1.142 . . . . 0.0 110.273 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.73 HD11 ' HZ3' ' A' ' 31' ' ' TRP . 55.3 tp -56.04 -42.99 77.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.33 -50.03 68.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 110.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.67 -45.06 65.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.791 ' HB3' HD22 ' A' ' 34' ' ' LEU . 68.5 mt -50.91 -38.33 49.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.804 HG21 ' CZ3' ' A' ' 50' ' ' TRP . 37.2 t -59.65 -64.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.338 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 68.7 mtp180 -59.16 -31.93 69.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.306 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.566 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.3 OUTLIER -43.36 -66.06 0.42 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.566 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 18.8 m-85 -115.5 -48.7 2.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.82 128.98 1.47 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.543 1.152 . . . . 0.0 110.966 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.603 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -59.63 -23.83 63.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 0.747 . . . . 0.0 110.302 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -44.27 -41.91 6.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -97.76 85.58 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.73 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.6 m95 -80.33 -51.59 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -39.86 -34.14 0.25 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.48 ' O ' ' CB ' ' A' ' 36' ' ' SER . 3.3 t80 -82.77 -47.45 11.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.791 HD22 ' HB3' ' A' ' 22' ' ' LEU . 70.1 mt -53.36 -52.57 58.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.36 -32.28 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.3 t -50.85 -43.03 59.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 110.005 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -55.86 -33.1 64.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.631 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.462 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 84.8 m-85 -105.52 104.52 48.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -18.74 18.43 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.476 1.777 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -91.5 -31.56 15.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.25 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.515 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 34.0 mmt-85 -94.46 -170.8 2.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.287 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.5 t -152.49 177.58 10.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.431 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -60.57 -51.41 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tm0? -55.77 -64.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 93.3 mm-40 -48.14 -43.66 31.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.448 1.092 . . . . 0.0 110.3 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 21.6 m -62.34 -70.74 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 108.287 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.594 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -44.57 -47.94 10.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.318 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 30.3 t80 -57.81 -64.37 0.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.661 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -49.5 -27.76 4.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.804 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.1 t-105 -79.54 -61.83 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.129 . . . . 0.0 107.999 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.2 mt -61.85 -8.68 5.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.1 mmt180 -103.54 -46.9 4.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.27 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.2 t -109.03 -62.0 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.535 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.1 mt -74.14 67.79 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.2 t -167.69 109.39 0.61 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.85 172.12 13.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.462 1.101 . . . . 0.0 111.017 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -41.31 0.67 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.503 1.791 . . . . 0.0 111.022 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.77 111.57 19.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 t -59.97 120.84 10.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.495 1.122 . . . . 0.0 111.041 179.934 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t -99.24 -58.76 1.86 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 0.824 . . . . 0.0 109.997 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -119.77 157.54 28.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.988 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.89 173.74 47.27 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 0.0 111.012 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -167.98 -57.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.423 0.72 . . . . 0.0 109.99 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.2 t 57.81 84.3 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.577 1.173 . . . . 0.0 110.022 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.11 -107.27 2.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 111.036 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.39 113.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 0.778 . . . . 0.0 109.235 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.88 126.69 26.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 109.271 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.65 113.57 26.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.245 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.493 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.4 m95 -83.4 170.83 14.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.148 . . . . 0.0 108.0 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 p -124.33 151.17 44.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 1.112 . . . . 0.0 110.464 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -44.98 -49.29 11.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.473 1.108 . . . . 0.0 109.611 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -46.48 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.422 1.076 . . . . 0.0 110.287 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 18' ' ' GLN . 6.0 mm-40 -53.16 -61.51 2.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.311 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.518 ' OD2' HD21 ' A' ' 54' ' ' LEU . 3.6 t0 -40.28 -47.59 2.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -63.57 -45.61 89.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.423 1.077 . . . . 0.0 110.3 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -56.25 -55.62 31.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 110.339 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.818 ' O ' HG23 ' A' ' 23' ' ' VAL . 54.6 tp -55.88 -42.02 75.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.49 -51.35 67.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.469 1.106 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -43.62 73.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.577 1.173 . . . . 0.0 109.243 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.771 ' HB3' HD22 ' A' ' 34' ' ' LEU . 63.9 mt -51.93 -38.46 56.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 109.277 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.818 HG23 ' O ' ' A' ' 19' ' ' LEU . 55.9 t -59.74 -64.62 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.589 1.181 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 55.4 mtt180 -59.07 -31.54 68.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.571 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.3 tp60 -43.43 -65.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.4 m-85 -116.32 -48.79 2.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 111.019 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.83 128.24 1.31 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.503 1.127 . . . . 0.0 110.942 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.75 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -57.0 -25.35 58.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 0.778 . . . . 0.0 110.294 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -41.85 -51.28 4.31 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 110.31 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -89.83 86.45 6.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.475 1.109 . . . . 0.0 109.267 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.765 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.0 m95 -79.88 -49.92 11.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 108.075 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.8 OUTLIER -39.53 -36.43 0.38 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 109.332 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.456 ' O ' ' CB ' ' A' ' 36' ' ' SER . 5.2 t80 -79.53 -50.75 10.26 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.771 HD22 ' HB3' ' A' ' 22' ' ' LEU . 62.5 mt -51.43 -48.36 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.426 1.079 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.45 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -52.5 -34.85 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 3.5 t -46.98 -36.07 7.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.391 1.057 . . . . 0.0 109.964 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.45 -36.91 85.32 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.642 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.8 m-85 -104.49 115.72 62.36 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 111.037 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -64.66 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.495 1.787 . . . . 0.0 111.042 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -47.16 -47.11 23.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.493 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 82.0 mmt-85 -75.25 -172.03 1.6 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.2 t -153.74 -174.07 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.403 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.45 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 1.5 p-10 -68.59 -55.81 10.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -50.9 -52.35 42.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.252 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -57.54 -50.46 73.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.556 1.16 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 20.3 m -53.82 -64.25 0.89 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 108.311 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.572 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -50.91 -46.41 60.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 110.327 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.4 t80 -59.35 -64.94 0.76 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.99 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.674 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.19 -28.32 4.38 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.706 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -78.68 -62.44 1.69 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 51' ' ' LEU . 21.4 mt -61.41 -9.08 4.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.429 1.081 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 17.3 mmt180 -102.88 -46.72 4.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.33 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.674 HG21 ' NE ' ' A' ' 49' ' ' ARG . 60.8 t -109.13 -61.73 2.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.546 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.9 mt -75.58 68.35 2.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.148 . . . . 0.0 109.279 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 12.0 t -148.48 95.75 2.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.615 1.197 . . . . 0.0 109.983 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 140.78 157.25 7.12 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.475 1.109 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 177.42 8.61 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.052 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 91.5 p -104.63 158.35 16.56 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.476 1.11 . . . . 0.0 109.98 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 30.9 p -54.59 145.8 18.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 110.032 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.541 1.151 . . . . 0.0 110.951 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 178.08 129.08 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 0.733 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 p 58.36 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 0.0 109.97 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.66 -144.61 4.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 p -150.89 -57.66 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 0.789 . . . . 0.0 110.03 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.9 157.51 6.76 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.956 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -89.2 176.76 43.9 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.16 -63.42 1.23 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 0.74 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.473 HG21 HE21 ' A' ' 45' ' ' GLN . 60.2 t -42.12 161.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.454 1.097 . . . . 0.0 109.256 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' N ' HG12 ' A' ' 9' ' ' VAL . 0.1 OUTLIER -112.92 128.48 56.48 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.346 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.51 ' CE2' ' HD2' ' A' ' 41' ' ' ARG . 16.6 m95 -114.37 151.63 32.75 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 107.987 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 13' ' ' HIS . 0.1 OUTLIER -120.4 170.38 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.402 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.418 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -57.77 -21.19 40.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.549 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -68.86 -68.07 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 110.308 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.502 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 19.4 mt-10 -48.52 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.692 ' OD1' HD21 ' A' ' 54' ' ' LEU . 5.9 m-20 -41.22 -56.29 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.34 -53.68 10.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.47 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.7 OUTLIER -55.56 -71.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.153 . . . . 0.0 110.337 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 23' ' ' VAL . 43.2 tp -40.11 -47.76 2.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.449 1.093 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -51.08 -49.6 60.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' GLN . . . -73.28 -48.25 36.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.801 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.9 mt -48.68 -38.23 20.73 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.3 t -59.45 -64.83 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 109.382 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 43.1 mtp85 -59.04 -32.41 69.72 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.516 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.34 -66.48 0.37 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.329 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.516 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 36.7 m-85 -114.0 -48.92 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.7 128.62 1.45 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.482 1.114 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.761 ' HB3' HG13 ' A' ' 23' ' ' VAL . 1.0 OUTLIER -58.05 -24.31 57.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.349 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -43.38 -46.01 6.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.271 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -93.77 84.5 4.61 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.246 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.701 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.5 m95 -78.91 -47.7 15.97 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.494 1.121 . . . . 0.0 107.976 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.8 mptm? -39.56 -41.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.467 ' O ' ' CB ' ' A' ' 36' ' ' SER . 6.5 t80 -76.3 -49.82 15.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.113 . . . . 0.0 110.971 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.801 HD22 ' HB3' ' A' ' 22' ' ' LEU . 83.7 mt -51.58 -51.67 53.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.581 1.175 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.473 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -47.33 -38.33 12.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.467 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 7.9 m -40.51 -52.61 2.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 110.003 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -44.61 -42.5 7.46 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.448 1.093 . . . . 0.0 109.628 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 35' ' ' ALA . 56.5 m-85 -99.16 117.37 64.24 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.591 1.182 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.36 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.419 1.747 . . . . 0.0 111.014 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -61.27 -54.45 43.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.117 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.51 ' HD2' ' CE2' ' A' ' 11' ' ' TRP . 3.4 mmp_? -64.22 -172.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -158.21 174.92 14.44 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.429 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.473 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 3.9 p-10 -54.45 -52.0 63.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -56.08 -63.16 1.27 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 110.243 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.473 HE21 HG21 ' A' ' 9' ' ' VAL . 14.4 mm100 -47.33 -45.97 25.02 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.511 1.132 . . . . 0.0 110.319 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 3.9 m -59.73 -68.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.326 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.557 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -46.41 -44.04 16.88 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.3 t80 -60.03 -65.75 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 111.052 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.604 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -48.47 -27.66 2.81 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.71 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.5 t-105 -79.78 -61.82 1.88 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 108.003 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 32.1 mt -61.89 -8.22 4.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.439 1.087 . . . . 0.0 109.4 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.3 mmm180 -104.02 -46.54 4.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.49 1.119 . . . . 0.0 110.356 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.604 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.6 t -109.12 -61.85 2.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.692 HD21 ' OD1' ' A' ' 16' ' ' ASP . 5.3 mt -74.9 67.89 1.71 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.247 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 87.7 p -147.65 98.29 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.06 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 163.64 174.86 33.98 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 175.56 11.06 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.536 1.808 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.2 m -151.69 -57.15 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.998 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -162.65 84.91 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.437 1.085 . . . . 0.0 109.98 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 O-C-N 124.548 1.155 . . . . 0.0 111.051 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 4' ' ' GLY . 51.1 m -150.36 165.84 31.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 0.752 . . . . 0.0 109.982 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t 67.07 -70.89 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 109.998 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 2' ' ' SER . . . -171.38 147.12 10.01 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.537 1.148 . . . . 0.0 110.946 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.1 p -131.67 137.16 48.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.439 0.729 . . . . 0.0 109.99 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.13 130.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.58 -154.31 17.41 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.514 1.134 . . . . 0.0 111.032 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.94 139.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 0.744 . . . . 0.0 109.23 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG23 ' HD1' ' A' ' 11' ' ' TRP . 17.1 m -87.34 178.67 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 102.97 8.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.556 1.16 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.553 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.5 m95 -83.3 157.97 22.4 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.465 1.103 . . . . 0.0 108.054 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 12.9 p -124.72 162.96 23.09 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 110.448 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -41.81 -51.45 4.23 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.446 1.091 . . . . 0.0 109.563 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.22 -62.39 1.56 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.246 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.546 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 54.8 mt-10 -52.06 -55.51 20.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.298 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.877 ' OD1' HD21 ' A' ' 54' ' ' LEU . 2.4 m-20 -50.22 -54.85 18.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.85 -44.11 73.68 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.273 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -56.5 17.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.624 1.202 . . . . 0.0 110.259 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.988 ' O ' HG23 ' A' ' 23' ' ' VAL . 18.5 tp -57.86 -45.46 86.26 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.561 1.163 . . . . 0.0 109.259 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -49.13 -51.14 33.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.437 1.085 . . . . 0.0 110.25 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.98 -53.41 17.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.164 . . . . 0.0 109.313 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.858 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.9 mt -43.73 -32.96 1.13 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.52 1.137 . . . . 0.0 109.288 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.988 HG23 ' O ' ' A' ' 19' ' ' LEU . 92.9 t -66.5 -63.21 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.286 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 1.7 ptm180 -59.83 -32.17 70.42 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.555 1.159 . . . . 0.0 110.361 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 12.9 tp60 -43.72 -66.99 0.32 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.276 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.555 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 4.7 m-85 -116.08 -48.77 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.135 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.35 129.74 2.15 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.444 1.09 . . . . 0.0 110.977 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.583 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -55.22 -18.45 6.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 0.0 110.297 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' GLN . 0.1 OUTLIER -38.3 -46.66 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 110.293 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.66 97.1 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 96.2 m95 -80.04 -42.91 22.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 108.051 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' TRP . 16.4 mttt -39.85 -43.81 1.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CE1' ' CD2' ' A' ' 37' ' ' HIS . 7.6 t80 -72.13 -44.94 62.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.945 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.858 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.4 mt -59.25 -52.92 63.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.439 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -56.5 -34.72 67.25 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 75.6 m -66.13 -30.96 71.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.143 . . . . 0.0 110.042 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.484 ' CD2' ' CE1' ' A' ' 33' ' ' PHE . 0.9 OUTLIER -65.9 -26.11 67.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.598 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -89.96 165.01 26.17 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.569 1.168 . . . . 0.0 111.032 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -89.58 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.521 1.801 . . . . 0.0 111.006 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 14.1 p30 -94.93 76.02 3.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.148 . . . . 0.0 109.318 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.553 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 17.2 mmt180 -148.04 169.5 19.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 110.257 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 HG22 ' CG ' ' A' ' 45' ' ' GLN . 9.2 t -147.06 149.79 33.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.411 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.439 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 3.0 p30 -40.11 -44.02 1.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.567 1.167 . . . . 0.0 109.338 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -55.92 -64.73 0.76 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 110.351 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' CG ' HG22 ' A' ' 42' ' ' THR . 19.6 mm-40 -46.36 -51.5 14.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 0.0 110.31 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 71.0 m -56.1 -71.15 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 108.372 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -42.67 -44.16 4.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 110.3 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.5 t80 -62.94 -69.49 0.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.731 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -44.16 -28.34 0.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.252 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.5 t-105 -79.05 -61.52 1.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 107.979 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 22.4 mt -62.87 -7.64 5.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.576 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 20.7 mmm180 -104.54 -46.57 4.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.568 1.168 . . . . 0.0 110.292 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.731 HG21 ' NE ' ' A' ' 49' ' ' ARG . 50.2 t -109.23 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.088 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.877 HD21 ' OD1' ' A' ' 16' ' ' ASP . 3.3 mt -75.09 67.65 1.78 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.576 1.172 . . . . 0.0 109.384 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.41 123.85 43.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.466 1.104 . . . . 0.0 109.989 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -51.52 155.15 3.99 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.525 1.14 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 122.01 6.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.48 1.779 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -136.38 92.52 2.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.032 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.2 m -75.26 92.63 2.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.98 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.425 1.078 . . . . 0.0 110.999 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -103.36 168.64 9.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 0.758 . . . . 0.0 110.053 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -137.46 118.84 14.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.2 -70.7 0.28 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.56 164.07 27.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 0.786 . . . . 0.0 109.946 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.22 106.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 109.991 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.44 -151.62 5.46 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.569 1.168 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.13 -64.43 0.23 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.243 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.0 m -107.12 139.13 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.4 mttt -85.17 117.16 23.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.561 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.5 m95 -103.0 147.87 26.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 107.921 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 69.3 p -115.95 154.79 29.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.414 1.071 . . . . 0.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -41.05 -51.54 3.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.577 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -44.64 -52.48 8.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.281 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.415 ' N ' ' OE2' ' A' ' 15' ' ' GLU . 1.6 mm-40 -67.57 -50.05 60.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 110.377 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -49.16 -58.27 5.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 109.329 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.97 -44.6 87.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -51.01 -57.3 8.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 110.31 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.901 ' O ' HG23 ' A' ' 23' ' ' VAL . 36.0 tp -58.86 -44.98 91.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.301 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.96 -49.4 60.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.85 -51.38 16.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 ' HB3' HD22 ' A' ' 34' ' ' LEU . 49.0 mt -47.17 -28.27 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 109.277 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.901 HG23 ' O ' ' A' ' 19' ' ' LEU . 47.0 t -70.63 -61.96 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.561 1.163 . . . . 0.0 109.382 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.41 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -60.05 -33.05 71.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 110.248 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.547 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.6 OUTLIER -43.43 -66.94 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.547 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 9.9 m-85 -112.54 -48.98 2.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 111.026 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 147.94 129.27 1.87 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.498 1.124 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.601 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 1.6 pt20 -55.85 -21.64 20.99 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 0.773 . . . . 0.0 110.296 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.82 -41.9 11.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -99.98 77.65 2.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.15 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.61 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 97.7 m95 -69.38 -49.29 56.82 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.1 mttt -39.25 -46.38 1.52 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.432 1.083 . . . . 0.0 109.292 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -68.58 -42.25 78.51 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.998 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.699 HD22 ' HB3' ' A' ' 22' ' ' LEU . 56.0 mt -60.45 -60.77 3.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.06 -49.81 20.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.9 m -53.92 -28.97 40.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.474 1.109 . . . . 0.0 109.968 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.428 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.5 OUTLIER -67.93 -26.8 66.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.595 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.466 ' CE2' HD12 ' A' ' 22' ' ' LEU . 26.5 m-85 -90.01 163.31 32.53 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.584 1.177 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -89.67 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.505 1.792 . . . . 0.0 111.036 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -92.76 73.96 4.95 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.561 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.8 mmt180 -147.63 176.66 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.327 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 45' ' ' GLN . 11.1 t -156.88 150.9 24.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.549 1.155 . . . . 0.0 110.393 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.48 -46.86 2.54 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.532 1.145 . . . . 0.0 109.185 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.412 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.1 OUTLIER -54.68 -60.16 3.74 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 110.296 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.535 ' H ' HG23 ' A' ' 42' ' ' THR . 62.2 mt-30 -51.11 -46.81 61.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.42 ' HB3' ' CE3' ' A' ' 31' ' ' TRP . 53.0 m -60.99 -70.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 108.316 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.598 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.6 tt0 -43.75 -52.12 6.79 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.429 1.081 . . . . 0.0 110.313 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.9 t80 -58.27 -63.34 1.3 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 111.008 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.657 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.8 tpt180 -50.52 -25.32 3.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.459 1.099 . . . . 0.0 110.243 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.599 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -82.28 -61.7 1.83 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 107.974 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.2 mt -61.63 -8.7 4.79 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.101 . . . . 0.0 109.249 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 13.5 mmt180 -103.56 -47.24 4.32 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.27 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.657 HG21 ' NE ' ' A' ' 49' ' ' ARG . 54.8 t -109.43 -62.03 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.443 1.089 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.518 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.95 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 24.7 p -126.04 154.72 42.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 110.034 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 73.74 -164.58 54.8 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.437 1.086 . . . . 0.0 110.978 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.1 170.69 19.83 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.941 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 90.1 p -90.72 127.15 36.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.587 1.179 . . . . 0.0 110.048 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m 61.85 90.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.02 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.498 1.124 . . . . 0.0 110.981 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -122.89 122.12 37.86 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.535 0.785 . . . . 0.0 110.017 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -173.81 123.9 0.35 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.979 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.44 93.12 0.1 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.963 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -128.71 82.44 2.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 0.786 . . . . 0.0 109.997 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.0 t -172.09 154.39 3.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.13 178.62 16.63 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.535 1.147 . . . . 0.0 111.007 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -130.39 -66.42 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 0.779 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 9' ' ' VAL . 15.7 m -83.07 102.97 9.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -68.39 95.65 0.62 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.545 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 5.0 m95 -61.39 166.32 4.04 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.6 p -123.11 151.77 41.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.599 1.187 . . . . 0.0 110.387 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -39.94 -52.61 2.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.647 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -44.15 -59.64 2.25 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 110.334 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -55.74 -59.48 4.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.078 . . . . 0.0 110.287 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 16' ' ' ASP . 2.4 t0 -41.71 -61.42 1.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -48.96 -46.51 43.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 110.238 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.559 ' OE1' HD11 ' A' ' 22' ' ' LEU . 0.5 OUTLIER -52.85 -61.47 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.856 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.3 tp -50.92 -49.15 60.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -47.16 -52.47 15.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.513 1.133 . . . . 0.0 110.332 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.38 -54.94 9.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.091 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.738 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.7 mt -42.17 -31.71 0.41 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 19' ' ' LEU . 54.8 t -68.56 -62.71 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -60.22 -33.01 71.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 110.273 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 4.6 tp60 -43.42 -66.77 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.103 . . . . 0.0 110.338 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.568 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 12.3 m-85 -113.38 -48.81 2.93 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 110.95 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.49 129.02 1.6 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.523 1.139 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.682 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -55.85 -31.2 62.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 0.788 . . . . 0.0 110.324 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -39.39 -45.4 1.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.226 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.44 74.43 4.48 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.582 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.7 m95 -69.11 -46.6 67.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 108.033 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.1 OUTLIER -39.3 -51.88 2.02 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.608 ' CZ ' ' NE2' ' A' ' 37' ' ' HIS . 4.9 t80 -64.36 -50.72 66.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.738 HD22 ' HB3' ' A' ' 22' ' ' LEU . 69.2 mt -46.32 -64.92 0.64 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.434 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -40.33 -43.02 1.66 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.6 OUTLIER -47.12 -46.58 23.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.552 1.157 . . . . 0.0 109.996 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.608 ' NE2' ' CZ ' ' A' ' 33' ' ' PHE . 61.9 m-70 -53.45 -35.59 60.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.61 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.433 ' HB3' ' CG ' ' A' ' 41' ' ' ARG . 45.5 m-85 -85.6 151.77 56.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 111.044 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.76 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.807 . . . . 0.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -83.63 68.88 10.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.281 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.545 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 22.5 mmt180 -150.42 168.16 24.98 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.434 ' HA ' ' HB1' ' A' ' 35' ' ' ALA . 13.9 t -150.26 156.55 41.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -45.42 -42.85 10.75 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -57.31 -55.11 39.05 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 1.145 . . . . 0.0 110.387 179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 -60.62 -44.46 96.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.437 1.086 . . . . 0.0 110.309 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 17.0 m -61.2 -61.23 2.71 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 108.29 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.582 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.1 tt0 -54.17 -48.21 71.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.306 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.6 t80 -58.52 -63.34 1.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.696 ' NE ' HG21 ' A' ' 53' ' ' VAL . 10.8 tpt180 -49.73 -26.76 4.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.283 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.587 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -80.81 -61.91 1.82 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 107.965 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 42.1 mt -61.56 -8.92 4.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmm180 -103.29 -46.92 4.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.245 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.696 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.1 t -109.26 -62.1 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.389 1.055 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.509 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.6 mt -74.47 67.63 1.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.27 -56.41 1.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.558 1.161 . . . . 0.0 110.077 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -157.64 75.15 0.21 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.5 1.125 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 74.62 3.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.84 -57.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.986 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.3 p -152.39 144.24 23.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.954 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.0 t -98.38 100.36 11.63 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.52 0.776 . . . . 0.0 109.941 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -143.81 -56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 109.969 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.93 127.19 24.69 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.453 1.096 . . . . 0.0 110.971 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -70.52 138.97 51.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.571 0.806 . . . . 0.0 109.969 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.5 m -96.63 166.72 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.009 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.54 135.63 3.33 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.459 1.099 . . . . 0.0 111.038 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' HG22 ' A' ' 9' ' ' VAL . 2.0 mmmt -131.54 124.77 30.75 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.405 0.709 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 8' ' ' LYS . 19.6 m 43.64 -164.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -134.76 106.61 7.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.266 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 49' ' ' ARG . 6.4 m95 -94.2 112.86 24.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 107.925 -1.139 . . . . 0.0 107.925 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.3 p -87.59 163.2 16.74 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.086 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 51.0 m-70 -43.51 -52.36 6.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.568 1.168 . . . . 0.0 109.569 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.401 ' O ' ' OE1' ' A' ' 18' ' ' GLN . 12.5 mt-10 -50.28 -39.01 44.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 110.258 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -69.87 -45.66 67.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.262 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.474 ' OD1' HD21 ' A' ' 54' ' ' LEU . 1.0 OUTLIER -62.29 -60.63 3.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -47.52 -39.55 16.48 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.2 mt-30 -57.95 -65.22 0.68 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.42 1.075 . . . . 0.0 110.249 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 23' ' ' VAL . 19.1 tp -52.65 -46.84 67.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.434 1.084 . . . . 0.0 109.292 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -47.89 -44.2 29.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.334 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -79.55 -57.98 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 ' HB3' HD22 ' A' ' 34' ' ' LEU . 64.1 mt -40.04 -29.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.362 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 19' ' ' LEU . 53.7 t -71.46 -61.37 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 109.387 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -61.53 -34.33 75.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 1.5 tp60 -43.46 -66.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 110.344 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.5 m-85 -112.19 -49.33 2.97 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.383 1.052 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 149.08 129.53 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.496 1.122 . . . . 0.0 111.023 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.671 ' HA ' HD11 ' A' ' 34' ' ' LEU . 2.0 pt20 -55.13 -29.23 57.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 0.784 . . . . 0.0 110.271 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -41.69 -45.17 3.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.247 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -92.1 69.32 5.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.647 ' HA ' HD12 ' A' ' 34' ' ' LEU . 97.2 m95 -64.6 -47.86 77.05 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.943 -1.132 . . . . 0.0 107.943 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 31' ' ' TRP . 4.9 mmtm -39.48 -53.92 2.0 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.479 1.112 . . . . 0.0 109.202 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' CZ ' ' CD2' ' A' ' 37' ' ' HIS . 11.4 t80 -61.97 -45.13 94.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 28' ' ' GLN . 55.5 mt -53.4 -60.46 3.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.605 1.19 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.36 -24.72 12.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.48 -23.73 58.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 110.023 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' CZ ' ' A' ' 33' ' ' PHE . 0.5 OUTLIER -77.4 -29.62 53.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.638 179.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 15.0 m-85 -83.44 161.63 56.14 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.45 1.094 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -88.85 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -94.17 76.49 4.02 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.536 1.147 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.426 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 15.2 mmt180 -147.75 177.6 9.17 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.412 ' CG2' ' C ' ' A' ' 41' ' ' ARG . 44.6 p -150.51 161.76 41.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.74 -34.28 65.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -70.86 -53.83 13.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.267 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.3 mt-30 -53.46 -45.34 69.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 110.278 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 36.1 m -62.83 -70.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 108.34 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.57 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.2 tt0 -44.26 -48.52 9.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.579 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 29.7 t80 -58.57 -63.93 1.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.958 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.741 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.7 tpt180 -49.41 -28.29 4.99 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 110.324 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' LEU . 3.6 t-105 -78.86 -62.33 1.73 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 108.04 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.2 mt -61.31 -9.1 4.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.579 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 31.9 mmt-85 -103.06 -47.04 4.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.741 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.0 t -109.07 -62.06 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 109.241 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.514 ' C ' ' O ' ' A' ' 50' ' ' TRP . 3.0 mt -75.13 67.65 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.282 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.4 t -143.09 -67.51 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 0.0 110.006 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -58.72 171.36 4.52 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.411 1.069 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.511 1.795 . . . . 0.0 110.971 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.92 109.72 9.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 109.958 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.45 118.09 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.006 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.546 1.154 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -75.14 -58.4 3.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 0.771 . . . . 0.0 109.978 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.6 t -175.44 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.486 1.116 . . . . 0.0 110.05 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.18 131.61 10.52 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.439 1.087 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.09 145.47 20.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.942 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 162.19 13.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 110.032 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.51 79.1 0.08 OUTLIER Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.426 1.079 . . . . 0.0 110.958 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.43 -72.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.563 0.802 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.6 p -144.34 116.29 2.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.246 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.03 124.49 31.13 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.291 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.61 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 16.3 m95 -101.17 153.3 19.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 108.058 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 57.9 p -101.83 135.22 43.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 110.417 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m80 -40.29 -42.68 1.58 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.587 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -52.22 -53.64 40.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -65.91 -53.56 37.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -41.15 -52.42 3.3 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -56.28 -48.71 76.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.43 -55.68 20.2 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.989 ' O ' HG23 ' A' ' 23' ' ' VAL . 67.8 tp -58.28 -47.36 83.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -52.77 -49.81 64.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 110.289 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.62 67.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.263 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.826 ' HB3' HD22 ' A' ' 34' ' ' LEU . 52.5 mt -52.4 -34.47 48.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.989 HG23 ' O ' ' A' ' 19' ' ' LEU . 98.2 t -62.73 -64.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 62.8 mtp85 -59.6 -32.17 70.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.306 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.573 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 8.2 tp60 -43.32 -65.76 0.45 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.573 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 26.2 m-85 -115.02 -48.8 2.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 150.07 128.88 1.63 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.801 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -56.81 -25.67 56.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.449 0.735 . . . . 0.0 110.235 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -45.96 -38.77 8.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.25 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -96.63 78.76 2.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.775 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 98.3 m95 -76.76 -52.11 10.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 108.09 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -39.53 -35.93 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.451 1.095 . . . . 0.0 109.291 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.3 t80 -81.84 -52.06 7.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.826 HD22 ' HB3' ' A' ' 22' ' ' LEU . 77.3 mt -49.93 -44.44 50.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.401 ' O ' ' O ' ' A' ' 38' ' ' PHE . . . -54.16 -26.64 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 13.1 m -56.33 -41.21 75.68 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -58.21 -36.78 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 109.607 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.411 ' CB ' ' HB2' ' A' ' 41' ' ' ARG . 71.7 m-85 -104.19 105.61 49.9 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.446 1.091 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -21.08 16.39 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.541 1.811 . . . . 0.0 111.042 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 1.5 m-20 -88.37 -33.24 18.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.61 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 57.1 mmt-85 -97.6 169.4 9.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.112 . . . . 0.0 110.324 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 t -131.72 174.03 10.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.425 1.078 . . . . 0.0 110.407 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.88 -51.13 70.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 109.353 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -54.23 -62.36 1.71 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 110.27 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -53.84 -39.7 65.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.55 1.156 . . . . 0.0 110.342 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.7 m -63.76 -59.01 5.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 108.289 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.593 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -56.2 -41.78 76.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 31.9 t80 -59.8 -65.6 0.65 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.965 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.576 ' HD3' ' CD1' ' A' ' 11' ' ' TRP . 18.1 tpt180 -49.26 -26.65 3.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.919 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -80.68 -62.19 1.74 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 28.7 mt -62.01 -8.25 5.0 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.425 1.078 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.4 mmt180 -103.4 -47.17 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 110.263 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.547 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.0 t -109.24 -61.79 2.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.164 . . . . 0.0 109.298 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.2 mt -74.96 67.89 1.74 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.8 t -146.41 128.76 15.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.424 1.077 . . . . 0.0 110.07 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.04 151.35 0.41 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 131.24 14.05 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.8 p -166.07 -66.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 109.994 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.7 -58.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.416 1.073 . . . . 0.0 110.033 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.41 124.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 0.781 . . . . 0.0 110.008 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -83.42 119.54 24.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.433 1.083 . . . . 0.0 109.975 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.12 179.59 39.59 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.428 1.08 . . . . 0.0 111.011 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 m 54.67 82.49 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.34 103.97 2.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.399 1.062 . . . . 0.0 109.938 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.16 93.49 0.1 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.491 1.119 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.0 mttm -45.56 164.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 0.739 . . . . 0.0 109.317 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.474 HG13 ' NH2' ' A' ' 41' ' ' ARG . 58.6 t -89.44 -68.97 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 71.12 97.65 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.235 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.573 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 4.3 m95 -75.04 141.82 43.83 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.4 p -104.61 161.23 14.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.438 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -51.28 -58.65 5.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.617 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -45.51 -26.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.427 1.079 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 2.5 mt-10 -89.96 -54.71 3.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.265 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -45.17 -50.57 11.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -63.58 -44.13 94.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 110.329 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 1.8 mt-30 -48.66 -60.49 2.67 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 110.245 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.64 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.3 tp -53.68 -53.2 55.37 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.16 -50.8 4.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.72 -57.27 4.23 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.44 1.088 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.725 ' HB3' HD22 ' A' ' 34' ' ' LEU . 70.8 mt -39.98 -30.05 0.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.708 HG13 ' HB3' ' A' ' 28' ' ' GLN . 47.7 t -71.63 -61.4 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.8 ptt180 -61.75 -33.86 74.81 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.518 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.44 -66.39 0.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 110.338 179.917 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.518 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 22.7 m-85 -111.82 -49.23 3.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.54 1.15 . . . . 0.0 111.024 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.59 127.96 1.68 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.537 1.148 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.708 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -59.58 -17.21 30.92 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 0.754 . . . . 0.0 110.316 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.05 -37.58 6.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -108.41 89.81 3.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.241 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 96.7 m95 -79.73 -44.89 19.92 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 107.937 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.1 mttp -39.8 -43.75 1.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -73.97 -49.93 22.24 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.441 1.088 . . . . 0.0 110.999 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 22' ' ' LEU . 74.3 mt -48.65 -62.64 1.4 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.516 ' CB ' ' N ' ' A' ' 43' ' ' ASP . . . -46.33 -36.45 6.34 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -61.81 -38.74 89.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.021 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -54.8 -41.17 70.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 109.524 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.442 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 27.6 m-85 -73.79 165.72 50.63 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -90.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.492 1.786 . . . . 0.0 110.991 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.463 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 36.2 m-20 -95.89 78.32 3.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.1 . . . . 0.0 109.277 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.573 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 33.5 mmt-85 -146.49 179.36 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.284 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.664 HG23 ' H ' ' A' ' 45' ' ' GLN . 5.9 t -153.93 149.6 27.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.57 1.169 . . . . 0.0 110.471 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.516 ' N ' ' CB ' ' A' ' 35' ' ' ALA . 13.2 p-10 -43.14 -38.03 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 109.362 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -61.45 -54.78 38.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.137 . . . . 0.0 110.32 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.664 ' H ' HG23 ' A' ' 42' ' ' THR . 2.9 mm-40 -55.17 -49.02 72.91 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.6 m -60.35 -68.62 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 108.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.468 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -44.56 -50.46 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 110.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.58 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.1 t80 -59.5 -63.04 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.622 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 14.5 tpt180 -50.2 -25.17 3.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.389 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.607 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -82.72 -62.23 1.66 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 34.1 mt -60.79 -9.31 3.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.093 . . . . 0.0 109.32 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.58 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.9 mmt180 -102.92 -47.54 4.34 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.49 1.119 . . . . 0.0 110.272 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 53.8 t -109.47 -62.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.516 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.5 mt -75.72 67.82 2.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.1 t -174.65 110.37 0.13 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.015 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.97 159.16 33.31 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.51 1.131 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 59.95 5.33 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.52 1.8 . . . . 0.0 110.982 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 49.3 m -102.54 144.54 30.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 92.6 p -89.43 80.39 6.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.54 1.15 . . . . 0.0 110.023 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 111.01 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -166.41 160.45 15.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 0.743 . . . . 0.0 110.021 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.5 t -100.55 122.08 42.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.096 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.19 71.86 0.38 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -88.79 -60.95 1.82 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.922 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 t -78.75 96.91 5.71 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.043 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.8 87.76 1.57 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 10' ' ' LYS . 1.2 mptm? -134.16 155.19 50.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 0.781 . . . . 0.0 109.261 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.2 t 68.72 -68.09 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.438 1.086 . . . . 0.0 109.312 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 8' ' ' LYS . 22.7 mttt 68.96 83.79 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 4.2 m95 -60.04 126.72 28.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 108.035 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 p -82.29 163.91 21.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.423 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 2.6 m170 -53.45 -51.65 62.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.596 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.493 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 6.0 mt-10 -57.8 -26.44 61.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 110.258 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -79.94 -43.95 21.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.517 ' OD2' HD21 ' A' ' 54' ' ' LEU . 1.5 t0 -65.7 -54.16 31.18 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.104 . . . . 0.0 109.26 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.493 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -54.95 -32.63 61.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 110.276 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.579 ' NE2' HD11 ' A' ' 22' ' ' LEU . 0.1 OUTLIER -61.59 -71.58 0.14 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 23' ' ' VAL . 15.4 tp -44.09 -39.41 4.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.254 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.28 -53.13 60.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.443 1.089 . . . . 0.0 110.299 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.6 -47.29 49.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.697 ' HB3' HD22 ' A' ' 34' ' ' LEU . 27.0 mt -49.03 -42.16 37.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 19' ' ' LEU . 37.2 t -55.31 -65.47 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -58.93 -32.18 69.35 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.573 1.171 . . . . 0.0 110.321 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 2.9 tt0 -43.24 -65.69 0.46 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.545 1.153 . . . . 0.0 110.233 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 40.1 m-85 -114.97 -48.86 2.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.152 . . . . 0.0 110.992 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.13 129.56 1.6 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.574 ' HB2' ' CZ2' ' A' ' 31' ' ' TRP . 0.4 OUTLIER -55.72 -32.98 63.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 0.795 . . . . 0.0 110.282 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -41.18 -40.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.081 . . . . 0.0 110.338 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -93.42 68.19 4.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.412 1.07 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.585 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 98.4 m95 -66.49 -49.51 66.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 108.009 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 31' ' ' TRP . 17.0 mtpt -39.61 -51.16 2.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -65.2 -48.62 72.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.022 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.697 HD22 ' HB3' ' A' ' 22' ' ' LEU . 67.2 mt -51.24 -51.76 51.03 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.39 -33.61 65.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 109.291 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.5 m -65.11 -29.66 70.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.046 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -35.81 82.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 109.571 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -81.48 164.51 49.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.161 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.406 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 7.4 m120 -95.23 75.49 3.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' NH1' ' O ' ' A' ' 40' ' ' ASN . 86.3 mmt-85 -147.18 168.94 20.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.293 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 15.0 t -144.62 151.12 38.54 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 110.441 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -41.21 -41.15 1.77 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -58.41 -57.84 11.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 110.287 -179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -55.81 -33.4 64.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.085 . . . . 0.0 110.331 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 64.6 m -73.07 -67.03 0.6 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 108.315 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.585 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.0 tt0 -48.96 -46.49 43.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 110.281 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.574 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -61.54 -63.55 1.24 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.537 1.148 . . . . 0.0 111.003 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 13.7 tpt180 -50.23 -24.25 2.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.544 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -83.73 -61.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 107.997 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.9 mt -61.31 -8.46 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.574 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.8 mmm180 -103.98 -47.53 4.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.287 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 50.2 t -109.77 -62.33 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 0.0 109.332 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.542 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 1.5 mt -76.09 68.0 2.48 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 t -130.41 142.24 50.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.014 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -86.36 157.75 30.66 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.463 1.102 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 77.85 3.05 Favored 'Trans proline' 0 C--N 1.361 1.232 0 O-C-N 124.461 1.769 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.97 162.07 29.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.963 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.6 t -150.25 -58.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.0 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.6 1.188 . . . . 0.0 111.017 179.953 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -65.19 158.37 26.27 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.41 0.712 . . . . 0.0 109.981 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -142.5 -59.06 0.45 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.23 60.57 0.66 Allowed Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.49 1.119 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.56 105.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 0.796 . . . . 0.0 109.977 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -149.75 109.15 3.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.003 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.65 -68.64 1.39 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.65 167.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 0.762 . . . . 0.0 109.277 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.57 129.04 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 mttm -78.32 101.9 7.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 0.0 109.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.486 ' CH2' HD22 ' A' ' 19' ' ' LEU . 5.7 m95 -93.77 122.3 36.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 108.0 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.1 p -92.87 163.03 13.85 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 110.397 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -49.36 -47.31 47.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.605 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -57.77 -30.25 65.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.26 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.5 mt-10 -80.1 -40.64 27.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.464 1.103 . . . . 0.0 110.344 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.446 ' CG ' HD21 ' A' ' 54' ' ' LEU . 0.8 OUTLIER -64.43 -53.61 45.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 11.9 pt-20 -52.35 -46.57 66.18 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 110.291 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -51.8 -57.9 7.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.589 1.18 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 1.014 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -59.33 -36.22 75.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.328 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.7 mtp180 -65.29 -47.12 77.73 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.284 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.59 -22.31 61.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.671 ' HB3' HD22 ' A' ' 34' ' ' LEU . 29.1 mt -75.75 -24.86 56.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.014 HG23 ' O ' ' A' ' 19' ' ' LEU . 48.3 t -78.65 -56.84 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.495 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 6.8 ptm180 -53.28 -42.87 67.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.586 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -45.34 -68.1 0.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.245 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.586 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 1.3 m-85 -112.33 -50.44 2.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.507 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 144.76 -135.57 6.17 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.532 1.145 . . . . 0.0 110.995 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.09 45.63 1.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.784 . . . . 0.0 110.38 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.02 -43.64 12.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.13 80.17 1.93 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.546 1.154 . . . . 0.0 109.33 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.657 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 95.1 m95 -51.31 -40.17 58.47 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 mtpt -40.93 -50.19 3.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.581 1.176 . . . . 0.0 109.291 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -65.13 -37.21 86.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 22' ' ' LEU . 60.5 mt -65.41 -52.18 55.18 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 109.29 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.62 -39.57 88.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.6 m -51.1 -32.99 24.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -38.4 89.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.619 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 18' ' ' GLN . 61.1 m-85 -79.31 162.67 62.99 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.09 -89.63 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.507 1.793 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.436 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 37.7 t-20 -90.4 76.43 6.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.436 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 2.4 mmt85 -151.69 170.09 20.57 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.3 t -150.36 152.96 35.21 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -40.51 -42.79 1.71 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.22 -62.69 1.54 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.8 mm-40 -47.4 -47.08 26.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 110.324 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 53.3 m -61.55 -71.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 108.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.8 tt0 -42.23 -48.72 4.95 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.568 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.1 t80 -62.14 -65.43 0.69 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.98 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.747 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.3 tpt180 -48.91 -28.2 3.64 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.864 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.2 t-105 -78.86 -62.18 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 107.973 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.9 mt -61.94 -8.48 5.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.323 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.568 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.8 mmt180 -103.58 -47.04 4.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.563 1.164 . . . . 0.0 110.335 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.747 HG21 ' NE ' ' A' ' 49' ' ' ARG . 59.0 t -109.27 -62.28 2.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.569 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 2.1 mt -75.24 67.76 1.89 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.22 93.95 2.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 170.81 97.61 0.11 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.546 1.154 . . . . 0.0 111.041 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 142.41 27.74 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.13 156.06 34.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -172.74 105.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 110.017 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.933 0 O-C-N 124.498 1.124 . . . . 0.0 111.087 179.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 69.84 -70.0 0.16 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.87 125.41 44.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.061 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 114.95 151.68 10.13 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.536 1.148 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -73.69 159.23 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 0.806 . . . . 0.0 110.031 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.39 130.26 55.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.048 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.19 171.34 38.29 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.461 1.1 . . . . 0.0 111.026 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.82 128.46 55.3 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.423 0.72 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.698 HG21 ' NE2' ' A' ' 45' ' ' GLN . 48.0 t -135.88 143.05 37.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.235 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -121.95 138.18 54.51 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 0.0 109.256 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.568 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 13.5 m95 -118.77 144.09 46.5 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.894 HG23 ' H ' ' A' ' 14' ' ' GLU . 8.8 t -114.37 -175.58 2.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 110.402 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -17.24 64.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.535 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.894 ' H ' HG23 ' A' ' 12' ' ' THR . 36.8 mt-10 -75.95 -67.49 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.568 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.1 mm-40 -47.89 -58.79 3.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.36 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -45.25 -65.77 0.49 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.534 1.146 . . . . 0.0 109.371 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -51.73 -45.04 63.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.305 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.91 -58.65 6.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.823 HD23 HD12 ' A' ' 54' ' ' LEU . 69.5 tp -61.02 -50.88 71.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.21 -44.56 16.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.252 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.03 -55.85 5.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.802 ' HB3' HD22 ' A' ' 34' ' ' LEU . 73.5 mt -42.11 -32.26 0.45 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.597 1.186 . . . . 0.0 109.343 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.73 HG13 ' HB3' ' A' ' 28' ' ' GLN . 52.3 t -67.49 -62.85 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.45 -32.84 71.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.588 1.18 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.557 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -43.47 -66.62 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.336 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.557 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 17.6 m-85 -114.37 -48.93 2.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.33 129.85 1.52 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.73 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -58.93 -27.53 65.38 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.521 0.777 . . . . 0.0 110.314 179.931 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.3 mp0 -40.55 -49.86 2.95 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.564 1.165 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -88.28 82.79 6.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 109.246 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.74 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 96.5 m95 -78.54 -47.52 17.1 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 107.999 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.7 OUTLIER -39.42 -37.79 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 36' ' ' SER . 4.9 t80 -78.94 -56.9 4.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.967 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.802 HD22 ' HB3' ' A' ' 22' ' ' LEU . 76.9 mt -44.03 -56.59 3.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.57 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -39.65 -40.53 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.088 . . . . 0.0 109.339 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 14.8 m -41.71 -51.3 4.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.534 ' CE1' HD21 ' A' ' 22' ' ' LEU . 0.4 OUTLIER -47.66 -41.16 21.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 109.628 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 35' ' ' ALA . 63.6 m-85 -100.67 110.43 60.53 Favored Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.504 1.127 . . . . 0.0 110.958 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -44.26 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.43 1.752 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -64.46 -44.88 89.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 3.7 mmt85 -77.89 -178.8 5.66 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.4 p -141.24 179.56 6.69 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.432 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.57 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.7 p-10 -65.92 -16.78 64.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -88.64 -63.33 1.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.55 1.156 . . . . 0.0 110.289 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.698 ' NE2' HG21 ' A' ' 9' ' ' VAL . 18.5 mt-30 -48.78 -33.45 10.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.52 1.138 . . . . 0.0 110.305 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.4 m -67.52 -67.3 0.47 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.494 1.121 . . . . 0.0 108.386 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.581 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -50.96 -47.99 61.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 110.356 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.572 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.8 t80 -58.15 -62.37 1.87 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.688 ' NE ' HG21 ' A' ' 53' ' ' VAL . 12.1 tpt180 -49.92 -27.98 6.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.704 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 2.5 t-105 -78.64 -63.04 1.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.056 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 31.4 mt -60.33 -10.04 4.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.33 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.572 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 16.0 mmt180 -102.23 -47.25 4.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.218 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.688 HG21 ' NE ' ' A' ' 49' ' ' ARG . 61.5 t -109.13 -62.46 2.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.251 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.823 HD12 HD23 ' A' ' 19' ' ' LEU . 2.8 mt -76.76 68.17 2.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.4 p -118.69 147.71 43.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.962 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -95.31 -70.28 1.07 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 84.75 1.62 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.42 1.748 . . . . 0.0 110.952 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.3 p -49.06 132.06 19.08 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.009 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.5 m -81.59 114.81 20.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.582 1.176 . . . . 0.0 110.052 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.534 1.146 . . . . 0.0 110.957 179.917 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 t 59.4 168.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 0.77 . . . . 0.0 110.018 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.92 104.66 14.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.14 96.84 0.16 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.469 1.106 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.8 p -169.04 123.43 0.84 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.588 0.816 . . . . 0.0 109.992 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -148.79 89.74 1.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.008 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.83 150.21 17.4 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -170.09 128.22 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.328 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.463 HG13 ' CD1' ' A' ' 11' ' ' TRP . 9.7 p -131.34 134.43 60.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.149 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 tttt -83.04 122.94 28.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.24 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.0 m95 -127.38 143.05 51.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.533 1.146 . . . . 0.0 107.964 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.852 HG23 ' H ' ' A' ' 14' ' ' GLU . 4.9 t -113.34 163.37 14.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.391 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 12' ' ' THR . 22.7 m170 -39.41 -29.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.653 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.852 ' H ' HG23 ' A' ' 12' ' ' THR . 0.1 OUTLIER -68.51 -69.34 0.33 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 3.9 mm-40 -46.93 -54.14 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.502 1.126 . . . . 0.0 110.217 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.8 -64.76 0.71 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.586 1.179 . . . . 0.0 109.313 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -47.07 -52.86 14.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.591 1.182 . . . . 0.0 110.325 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -45.49 -62.98 1.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.672 HD11 ' CZ3' ' A' ' 31' ' ' TRP . 39.1 tp -54.62 -56.71 16.14 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.13 -39.55 2.04 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.63 -54.08 6.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.333 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.7 mt -43.7 -33.03 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.814 HG13 ' HB3' ' A' ' 28' ' ' GLN . 93.6 t -66.34 -63.27 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.312 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.95 -32.8 71.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.368 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.51 -66.85 0.33 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 1.062 . . . . 0.0 110.233 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.563 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 20.6 m-85 -114.04 -48.84 2.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.546 1.154 . . . . 0.0 111.039 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.76 135.32 2.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.565 1.166 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.814 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.0 pt20 -77.92 51.73 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 0.754 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -104.61 -40.45 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.99 71.21 0.75 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.672 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 84.2 m95 -52.23 -37.15 54.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 108.053 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 5.7 mttp -39.91 -46.79 2.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 109.287 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.462 ' O ' ' CB ' ' A' ' 36' ' ' SER . 2.6 t80 -76.0 -39.54 55.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 110.993 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.665 HD12 ' HA ' ' A' ' 31' ' ' TRP . 80.1 mt -53.35 -66.63 0.35 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -44.69 -32.91 1.65 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.4 OUTLIER -53.03 -41.74 65.03 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.985 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 -54.14 -40.73 67.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.407 1.067 . . . . 0.0 109.614 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -79.81 160.22 69.63 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -89.94 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.474 1.776 . . . . 0.0 110.935 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -88.0 73.32 9.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.445 1.091 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.8 mmp_? -153.41 151.57 30.05 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.52 1.138 . . . . 0.0 110.261 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.4 t -133.03 157.66 44.69 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.114 . . . . 0.0 110.396 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -40.79 -46.87 2.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -53.41 -58.79 5.88 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -50.18 -52.01 39.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.076 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 34.2 m -60.64 -69.35 0.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.26 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.4 tt0 -40.99 -53.33 2.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.155 . . . . 0.0 110.306 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.9 t80 -56.37 -63.72 1.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.427 1.079 . . . . 0.0 111.062 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.782 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.7 tpt180 -49.48 -26.94 3.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.63 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 3.8 t-105 -80.76 -62.24 1.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 108.041 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 35.1 mt -61.18 -8.52 3.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.1 mmm180 -103.82 -47.12 4.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.316 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.782 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.8 t -109.24 -62.31 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.109 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.566 HD12 HD23 ' A' ' 19' ' ' LEU . 3.6 mt -76.88 68.37 3.06 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.312 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.34 124.27 50.82 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.946 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.68 -144.06 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 60.64 5.57 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.971 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.0 m 61.58 153.07 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.502 1.126 . . . . 0.0 110.024 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.4 p -108.03 117.88 35.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.123 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.07 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.4 t 62.4 85.69 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.563 0.802 . . . . 0.0 110.074 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.15 99.53 5.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.015 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.54 79.24 0.43 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.0 148.4 1.38 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 0.773 . . . . 0.0 110.023 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -68.62 -57.34 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.77 -153.62 12.91 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.32 -63.25 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 0.761 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.452 HG13 ' CD1' ' A' ' 11' ' ' TRP . 7.6 p -118.75 144.41 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -69.76 124.6 24.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 3.1 m95 -121.31 112.48 18.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 108.007 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.9 p -65.8 158.26 28.21 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 17' ' ' GLU . 3.8 t-160 -57.17 -49.88 74.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.577 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 17' ' ' GLU . 0.3 OUTLIER -50.39 -30.29 12.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.383 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' OE1' ' CD1' ' A' ' 38' ' ' PHE . 3.2 mm-40 -80.15 -45.23 18.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -62.33 -48.99 77.4 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -59.52 -36.5 76.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.11 . . . . 0.0 110.232 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' CD ' ' O ' ' A' ' 14' ' ' GLU . 1.8 mt-30 -61.95 -70.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.414 1.071 . . . . 0.0 110.321 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.936 ' O ' HG23 ' A' ' 23' ' ' VAL . 39.3 tp -45.9 -43.33 13.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.219 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -53.73 -54.7 34.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.405 1.066 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.23 -45.62 72.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.115 . . . . 0.0 109.35 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.729 ' HB3' HD22 ' A' ' 34' ' ' LEU . 76.9 mt -50.42 -43.15 54.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.166 . . . . 0.0 109.323 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.936 HG23 ' O ' ' A' ' 19' ' ' LEU . 63.1 t -54.08 -64.68 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -59.47 -31.89 69.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.567 ' HG2' ' CE1' ' A' ' 26' ' ' PHE . 5.6 tt0 -43.35 -65.5 0.48 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.261 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.567 ' CE1' ' HG2' ' A' ' 25' ' ' GLN . 15.8 m-85 -115.92 -48.69 2.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 111.028 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 152.28 129.0 1.43 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.772 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -58.77 -24.76 62.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.597 0.822 . . . . 0.0 110.318 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -43.61 -43.27 5.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.249 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -95.39 86.32 4.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.339 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.636 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 98.1 m95 -81.97 -47.9 12.13 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -39.82 -39.12 0.75 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.57 1.169 . . . . 0.0 109.294 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 36' ' ' SER . 1.9 t80 -79.44 -55.62 4.92 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.422 1.076 . . . . 0.0 110.943 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 22' ' ' LEU . 63.2 mt -43.91 -50.56 8.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -46.32 -39.21 9.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.335 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 8.9 t -39.82 -52.63 2.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.038 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -43.55 -43.26 5.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.56 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.477 ' CD1' ' OE1' ' A' ' 15' ' ' GLU . 49.9 m-85 -99.87 120.02 58.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.566 1.166 . . . . 0.0 111.031 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -60.79 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.5 1.789 . . . . 0.0 111.023 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -53.88 -49.34 68.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.531 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 30.6 mmt-85 -73.14 -179.61 3.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.625 HG23 ' H ' ' A' ' 44' ' ' GLN . 1.9 t -152.11 -168.07 2.96 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 42' ' ' THR . 5.4 p-10 -64.36 -47.99 77.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.625 ' H ' HG23 ' A' ' 42' ' ' THR . 0.0 OUTLIER -58.7 -68.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.244 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -44.16 -41.34 5.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.278 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 35.9 m -65.8 -71.05 0.2 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.308 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.475 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.3 tt0 -43.7 -49.3 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.297 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.575 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 28.3 t80 -56.43 -63.75 1.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 111.055 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.583 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 12.0 tpt180 -49.87 -24.71 2.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 110.218 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.797 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 4.8 t-105 -83.12 -62.52 1.57 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 51' ' ' LEU . 26.7 mt -60.89 -8.66 3.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.575 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 15.6 mmm180 -103.33 -47.45 4.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.433 1.083 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.583 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 61.9 t -109.47 -62.37 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.366 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.564 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 3.2 mt -76.75 68.15 2.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.354 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 39.3 p -137.43 136.44 37.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.057 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 86.9 85.43 1.11 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.575 1.172 . . . . 0.0 110.97 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.03 135.92 19.65 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.46 1.768 . . . . 0.0 111.03 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -140.6 153.63 46.16 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.568 1.167 . . . . 0.0 109.991 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.0 p -130.95 107.14 8.88 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.951 0 O-C-N 124.436 1.085 . . . . 0.0 111.079 -179.928 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.2 m 56.68 85.89 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 0.794 . . . . 0.0 110.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -82.44 83.26 7.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.452 1.095 . . . . 0.0 109.985 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.57 157.72 15.32 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.54 1.15 . . . . 0.0 111.025 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.7 m -61.79 134.7 57.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.54 0.788 . . . . 0.0 109.988 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 m -73.59 -63.43 1.2 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.541 1.151 . . . . 0.0 109.953 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.56 -168.38 12.61 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.457 1.098 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.3 mttt 64.53 117.91 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 0.774 . . . . 0.0 109.394 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.727 HG13 ' CD1' ' A' ' 11' ' ' TRP . 9.1 p -171.72 149.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.143 . . . . 0.0 109.274 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.23 126.51 29.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.727 ' CD1' HG13 ' A' ' 9' ' ' VAL . 3.7 m95 -130.19 97.79 4.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 107.979 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.644 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.8 t -71.96 174.39 7.07 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.412 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -57.38 -18.18 16.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.573 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.644 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.4 OUTLIER -74.42 -67.37 0.63 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.332 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.516 ' O ' ' CZ3' ' A' ' 11' ' ' TRP . 1.9 mt-10 -54.64 -18.7 4.84 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.318 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -84.79 -61.12 1.86 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.148 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -50.97 -26.14 5.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 110.325 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 1.4 mt-30 -70.17 -64.35 0.91 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' VAL . 14.0 tp -51.73 -52.34 49.34 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.66 -53.32 4.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.387 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.442 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.12 -56.99 4.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.584 1.177 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.664 ' HB3' HD22 ' A' ' 34' ' ' LEU . 46.6 mt -40.1 -30.24 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.697 HG13 ' HB3' ' A' ' 28' ' ' GLN . 32.1 t -71.18 -61.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -61.33 -33.24 73.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.32 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.556 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.2 OUTLIER -43.61 -66.43 0.38 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.287 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 13.8 m-85 -112.52 -49.27 2.96 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 110.975 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.59 129.22 1.52 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.499 1.124 . . . . 0.0 111.018 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.703 ' HA ' HD11 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -57.15 -33.06 67.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 0.739 . . . . 0.0 110.323 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.2 mp0 -39.19 -43.83 1.14 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.549 1.156 . . . . 0.0 110.306 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -92.62 73.59 5.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.602 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.5 m95 -70.48 -45.87 64.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 108.015 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' C ' ' O ' ' A' ' 31' ' ' TRP . 1.6 mttt -39.37 -47.59 1.78 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 1.11 . . . . 0.0 109.323 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 8.9 t80 -68.85 -54.54 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 110.986 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD11 ' HA ' ' A' ' 28' ' ' GLN . 53.0 mt -42.58 -63.56 0.75 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -46.47 -41.73 14.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.36 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.2 -34.84 68.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.038 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.448 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.68 -35.73 81.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.526 1.141 . . . . 0.0 109.561 -179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.488 ' CE2' HD12 ' A' ' 22' ' ' LEU . 19.6 m-85 -78.65 164.62 54.71 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.991 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -89.15 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.498 1.788 . . . . 0.0 111.029 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.442 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 25.4 m-20 -95.81 75.68 3.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.414 1.072 . . . . 0.0 109.249 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.67 HH12 HG21 ' A' ' 9' ' ' VAL . 7.6 mmt180 -147.45 170.11 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 24.2 p -144.21 163.52 33.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 110.396 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.02 -35.92 67.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -67.29 -54.62 19.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.595 1.185 . . . . 0.0 110.332 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -55.38 -46.36 76.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 110.283 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 6.0 m -62.27 -69.8 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 108.342 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.602 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -43.66 -47.93 7.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.581 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 27.4 t80 -60.6 -62.96 1.48 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.962 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.923 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 10.3 tpt180 -48.99 -28.25 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.544 1.152 . . . . 0.0 110.317 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.512 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.1 t-105 -80.1 -62.1 1.78 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.478 1.111 . . . . 0.0 108.062 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 28.3 mt -60.94 -8.25 3.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.521 1.138 . . . . 0.0 109.331 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.4 mmm180 -104.84 -47.41 4.04 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 110.3 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.923 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.0 t -109.45 -62.77 2.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.284 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.512 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.8 mt -76.6 69.33 3.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 109.37 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 t -168.68 77.28 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.02 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.72 172.58 20.64 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 101.79 1.51 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.523 1.801 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -70.11 160.12 32.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 109.963 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.4 m 59.81 151.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.986 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.494 1.121 . . . . 0.0 110.962 -179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.83 163.4 28.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 0.78 . . . . 0.0 109.994 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 m -148.77 134.99 19.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 109.989 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.46 90.27 1.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.586 1.179 . . . . 0.0 110.956 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.6 p -40.22 -54.42 2.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 109.973 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 m -101.85 -61.84 1.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.48 -154.09 7.73 Favored Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.91 -62.84 1.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 0.8 . . . . 0.0 109.273 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.453 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 8.6 p -160.31 164.17 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 mttt -129.4 90.92 3.08 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.162 . . . . 0.0 109.251 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.4 m95 -77.26 151.75 34.96 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 108.017 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.68 HG23 ' HB2' ' A' ' 14' ' ' GLU . 8.6 t -123.97 168.33 12.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.59 1.181 . . . . 0.0 110.43 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.01 -23.7 2.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 109.586 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.68 ' HB2' HG23 ' A' ' 12' ' ' THR . 1.4 mp0 -67.35 -68.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.305 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.571 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 1.1 mt-10 -53.77 -49.06 69.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.468 1.105 . . . . 0.0 110.304 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.0 -60.18 3.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.2 mm-40 -48.54 -52.13 24.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.321 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -69.14 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.158 . . . . 0.0 110.321 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 23' ' ' VAL . 34.1 tp -46.01 -38.74 8.15 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.571 1.169 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -63.22 -54.12 42.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.352 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.26 -19.89 65.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.681 ' HB3' HD22 ' A' ' 34' ' ' LEU . 24.6 mt -76.85 -25.25 52.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 19' ' ' LEU . 57.8 t -78.97 -56.56 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 109.342 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.494 ' CG ' ' N ' ' A' ' 25' ' ' GLN . 20.8 ptt85 -52.56 -43.31 65.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.281 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.581 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -45.28 -68.16 0.22 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.551 1.157 . . . . 0.0 110.382 179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 0.9 OUTLIER -110.96 -50.92 2.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.156 . . . . 0.0 110.972 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.526 ' N ' ' O ' ' A' ' 23' ' ' VAL . . . 143.76 -132.64 5.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.509 1.13 . . . . 0.0 110.943 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.7 45.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.435 0.726 . . . . 0.0 110.333 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -83.06 -47.19 11.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.284 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -127.58 82.81 2.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.306 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.822 ' HZ3' HD11 ' A' ' 19' ' ' LEU . 92.3 m95 -51.89 -40.07 60.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 108.027 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.5 mmtm -40.15 -46.28 2.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -67.99 -40.68 83.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.971 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.681 HD22 ' HB3' ' A' ' 22' ' ' LEU . 64.8 mt -62.96 -61.41 2.41 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.515 1.134 . . . . 0.0 109.33 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -45.57 -31.54 1.89 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.4 t -45.59 -38.03 6.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 1.107 . . . . 0.0 110.002 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -58.56 -38.92 78.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.564 1.165 . . . . 0.0 109.62 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 35' ' ' ALA . 39.4 m-85 -99.17 131.47 25.18 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.557 1.161 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 38' ' ' PHE . 18.6 Cg_endo -74.9 -83.71 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.516 1.798 . . . . 0.0 111.071 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' PRO . 71.9 m-20 -39.84 -60.22 1.04 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.453 ' NH2' ' CG2' ' A' ' 9' ' ' VAL . 70.6 mmt-85 -50.87 -178.64 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.574 1.171 . . . . 0.0 110.337 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.6 t -156.38 -168.34 2.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -70.4 -52.9 19.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.398 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.9 OUTLIER -52.41 -53.55 43.7 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -52.15 -52.63 50.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 30.2 m -59.12 -68.46 0.27 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 108.3 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.595 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.6 tt0 -43.18 -38.47 2.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.443 1.089 . . . . 0.0 110.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.577 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 48.8 t80 -72.54 -69.43 0.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.961 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.708 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.5 tpt180 -44.36 -28.35 0.54 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 110.322 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.85 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 6.3 t-105 -78.77 -61.44 2.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 108.005 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 24.1 mt -63.07 -7.67 6.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.577 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 19.8 mmm180 -104.5 -46.44 4.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.6 1.188 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.708 HG21 ' NE ' ' A' ' 49' ' ' ARG . 48.7 t -109.04 -61.74 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.495 1.122 . . . . 0.0 109.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.567 ' HB2' ' CE3' ' A' ' 50' ' ' TRP . 4.5 mt -73.98 67.4 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.8 t -133.93 108.59 8.5 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.468 1.105 . . . . 0.0 110.056 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -101.58 -147.88 20.69 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.496 1.123 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 70.98 5.15 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.436 1.756 . . . . 0.0 110.973 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.46 -55.4 2.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 110.025 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.0 m -68.0 128.76 37.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 O-C-N 124.503 1.127 . . . . 0.0 111.016 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -109.43 99.84 9.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 0.779 . . . . 0.0 109.92 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.4 t -105.95 156.11 18.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 110.017 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.11 -170.72 30.44 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m -62.5 -61.91 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 0.795 . . . . 0.0 109.972 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -100.68 -59.32 1.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.044 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.68 -137.73 14.48 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.472 1.108 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 16.5 pttt -152.46 136.66 16.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 0.748 . . . . 0.0 109.334 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.449 HG11 ' NE2' ' A' ' 45' ' ' GLN . 5.5 m -58.65 130.73 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.82 120.19 10.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.556 ' CE3' ' HB3' ' A' ' 15' ' ' GLU . 8.7 m95 -132.86 118.72 19.3 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.494 1.121 . . . . 0.0 108.015 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.544 HG23 ' HB2' ' A' ' 14' ' ' GLU . 0.6 OUTLIER -87.55 173.02 9.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.373 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.443 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.3 OUTLIER -56.08 -18.7 10.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.391 1.057 . . . . 0.0 109.581 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.544 ' HB2' HG23 ' A' ' 12' ' ' THR . 2.3 mt-10 -73.91 -68.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.441 1.088 . . . . 0.0 110.338 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.556 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 5.6 mt-10 -47.6 -23.68 0.72 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -73.14 -54.65 7.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.566 1.166 . . . . 0.0 109.278 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' GLN . 4.6 pt-20 -61.58 -28.22 69.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 0.0 110.268 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 0.6 OUTLIER -66.91 -71.3 0.2 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.127 . . . . 0.0 110.301 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 23' ' ' VAL . 20.4 tp -48.85 -49.54 38.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 mtp180 -46.92 -50.36 18.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.12 . . . . 0.0 110.301 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.85 -54.72 8.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.661 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.8 mt -44.12 -27.35 0.38 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.758 HG23 ' O ' ' A' ' 19' ' ' LEU . 39.1 t -72.88 -60.18 2.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.77 -33.62 75.54 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.549 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.0 OUTLIER -43.61 -65.49 0.49 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.549 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 24.0 m-85 -113.09 -49.27 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 110.993 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.21 130.73 1.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.571 1.169 . . . . 0.0 111.004 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -57.67 -26.59 61.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 0.757 . . . . 0.0 110.288 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -38.97 -55.95 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -84.96 83.72 7.96 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 28' ' ' GLN . 95.9 m95 -76.99 -46.51 23.64 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 7.6 mttt -39.38 -45.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' O ' ' N ' ' A' ' 36' ' ' SER . 8.7 t80 -70.41 -54.92 10.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 111.003 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 22' ' ' LEU . 61.7 mt -44.92 -44.73 9.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.258 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' HB1' ' HA ' ' A' ' 42' ' ' THR . . . -61.46 -39.9 92.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 33' ' ' PHE . 28.7 m -57.57 -34.99 69.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 110.009 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -36.68 72.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.611 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -85.16 163.44 45.46 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.957 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 -90.11 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.517 1.798 . . . . 0.0 111.012 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.456 ' O ' ' NE ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -91.17 74.08 6.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.456 ' NE ' ' O ' ' A' ' 40' ' ' ASN . 10.5 mmp_? -151.68 156.46 40.4 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.471 HG22 ' CG ' ' A' ' 45' ' ' GLN . 14.7 t -137.45 155.05 49.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.358 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -41.22 -42.76 2.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.6 OUTLIER -56.28 -55.02 38.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.28 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' CG ' HG22 ' A' ' 42' ' ' THR . 8.0 mm-40 -58.7 -52.33 66.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 5.0 m -56.72 -62.9 1.41 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 108.273 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.542 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.8 tt0 -50.01 -51.38 42.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 110.362 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.578 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -57.45 -62.0 2.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.984 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.853 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 9.4 tpt180 -50.43 -23.85 2.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.54 ' O ' ' C ' ' A' ' 54' ' ' LEU . 2.0 t-105 -84.18 -61.81 1.72 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 26.5 mt -61.4 -8.12 3.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.59 1.181 . . . . 0.0 109.288 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.578 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 18.5 mmt180 -104.51 -47.62 4.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.305 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.853 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 47.1 t -109.91 -62.83 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 109.209 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' A' ' 50' ' ' TRP . 1.7 mt -77.78 68.58 3.87 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.7 p -116.04 99.74 7.46 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.578 1.174 . . . . 0.0 110.018 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -85.57 118.77 4.89 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.462 1.102 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 63.42 6.02 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.493 1.786 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.57 121.6 20.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.969 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 m -64.34 -58.44 6.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.027 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -135.29 111.74 9.85 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 0.748 . . . . 0.0 110.008 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.4 p -158.26 94.28 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.01 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.42 -67.32 0.04 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.552 1.158 . . . . 0.0 110.973 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.4 p -117.55 157.79 25.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 110.01 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.04 168.78 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.576 1.172 . . . . 0.0 110.034 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -139.83 -67.14 0.04 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.507 1.13 . . . . 0.0 110.994 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 tptt -50.25 -63.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.4 m -107.02 112.13 38.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.098 . . . . 0.0 109.241 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.9 mttt -91.23 111.49 22.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.562 ' CZ2' ' HD2' ' A' ' 41' ' ' ARG . 11.7 m95 -80.87 157.6 25.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 107.974 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.64 HG23 ' HB2' ' A' ' 14' ' ' GLU . 2.2 t -124.65 176.0 6.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.391 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.425 ' N ' ' OG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -61.55 -17.01 53.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 109.633 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.64 ' HB2' HG23 ' A' ' 12' ' ' THR . 0.6 OUTLIER -73.02 -68.08 0.52 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 110.343 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 11' ' ' TRP . 11.0 mt-10 -49.38 -59.41 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.58 1.175 . . . . 0.0 110.28 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -42.19 -55.87 3.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.34 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.9 mm-40 -61.95 -51.9 66.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -50.4 -62.47 1.57 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 110.326 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.874 ' O ' HG23 ' A' ' 23' ' ' VAL . 62.4 tp -53.95 -46.92 71.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -47.22 -50.43 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.427 ' C ' ' N ' ' A' ' 23' ' ' VAL . . . -72.11 -53.31 13.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.747 ' HB3' HD22 ' A' ' 34' ' ' LEU . 85.6 mt -43.97 -27.53 0.37 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.571 1.169 . . . . 0.0 109.263 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 19' ' ' LEU . 75.8 t -73.51 -61.04 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 109.332 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -61.84 -34.72 76.48 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 110.334 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 26' ' ' PHE . 0.5 OUTLIER -43.54 -67.06 0.31 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' CD2' ' HB3' ' A' ' 25' ' ' GLN . 35.8 m-85 -111.14 -49.38 3.02 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.564 1.165 . . . . 0.0 110.974 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 145.95 129.3 2.05 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.416 1.073 . . . . 0.0 111.029 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.798 ' HB3' HG13 ' A' ' 23' ' ' VAL . 4.4 pt20 -58.2 -19.09 30.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -40.14 -43.21 1.59 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 110.361 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -102.96 94.39 5.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.113 . . . . 0.0 109.288 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.779 ' CZ3' HD11 ' A' ' 19' ' ' LEU . 93.8 m95 -86.22 -48.66 8.35 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 107.997 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 31' ' ' TRP . 2.6 mtmt -38.92 -31.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.449 ' N ' ' C ' ' A' ' 31' ' ' TRP . 1.8 t80 -86.22 -57.04 3.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.747 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.3 mt -44.25 -39.17 4.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.241 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.452 ' O ' ' N ' ' A' ' 38' ' ' PHE . . . -53.59 -43.44 68.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 33' ' ' PHE . 75.2 m -42.21 -46.98 4.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.389 1.056 . . . . 0.0 109.954 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.8 -40.87 43.16 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.56 1.162 . . . . 0.0 109.617 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.452 ' N ' ' O ' ' A' ' 35' ' ' ALA . 53.9 m-85 -105.14 115.3 62.48 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.976 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -54.65 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.54 1.811 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.11 -48.6 75.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 75.7 mmt-85 -71.78 -173.85 1.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 11.4 t -157.56 164.68 37.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.39 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -45.0 -49.07 11.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.457 1.098 . . . . 0.0 109.356 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -58.36 -67.0 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.268 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -47.17 -48.18 23.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.254 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -53.65 -67.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 108.334 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 1.9 tt0 -49.94 -51.18 43.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.583 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 26.1 t80 -54.09 -61.78 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 111.019 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.685 ' NE ' HG21 ' A' ' 53' ' ' VAL . 11.6 tpt180 -49.78 -27.98 5.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.16 . . . . 0.0 110.262 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.623 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 5.7 t-105 -78.93 -62.9 1.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 107.995 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.436 ' HA ' ' CB ' ' A' ' 55' ' ' SER . 38.1 mt -60.46 -9.78 4.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 109.247 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.583 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 14.0 mmt180 -102.49 -47.21 4.53 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.147 . . . . 0.0 110.325 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.685 HG21 ' NE ' ' A' ' 49' ' ' ARG . 55.0 t -109.1 -62.6 2.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.543 1.152 . . . . 0.0 109.254 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.629 HD12 HD23 ' A' ' 19' ' ' LEU . 3.4 mt -76.64 67.92 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.436 ' CB ' ' HA ' ' A' ' 51' ' ' LEU . 22.9 t -178.9 144.29 0.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 0.0 110.041 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.43 172.63 22.5 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.472 1.107 . . . . 0.0 110.971 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 59.9 5.2 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.508 1.794 . . . . 0.0 111.015 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.7 p -177.88 121.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.028 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.4 t -124.62 163.55 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.055 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.933 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.15 91.77 4.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 0.759 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -165.25 163.04 20.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.565 1.166 . . . . 0.0 109.997 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.56 121.69 15.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 110.986 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -155.59 87.37 1.09 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.428 0.722 . . . . 0.0 110.039 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.72 -61.72 1.33 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.99 131.99 1.29 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.033 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.85 166.21 7.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 0.76 . . . . 0.0 109.286 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' CG2' ' NH2' ' A' ' 41' ' ' ARG . 5.0 p -116.11 166.12 10.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.451 1.094 . . . . 0.0 109.279 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.518 ' N ' HG22 ' A' ' 9' ' ' VAL . 3.6 mptt -90.33 119.52 30.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' CE3' ' CB ' ' A' ' 15' ' ' GLU . 11.6 m95 -137.31 131.57 32.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.037 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.818 HG23 ' H ' ' A' ' 14' ' ' GLU . 9.1 t -108.12 179.06 4.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.383 1.052 . . . . 0.0 110.444 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.2 m170 -57.6 -17.56 15.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.594 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.818 ' H ' HG23 ' A' ' 12' ' ' THR . 7.2 mt-10 -77.17 -69.14 0.55 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 110.318 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.591 ' CB ' ' CE3' ' A' ' 11' ' ' TRP . 15.8 mt-10 -43.6 -56.49 3.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.43 1.081 . . . . 0.0 110.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -40.21 -59.77 1.2 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.92 -58.48 7.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.256 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 38' ' ' PHE . 0.0 OUTLIER -43.12 -58.37 2.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 110.333 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.97 HD22 HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -60.48 -61.84 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' CG ' HD13 ' A' ' 54' ' ' LEU . 0.9 OUTLIER -36.09 -44.33 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 0.0 110.299 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.407 ' O ' ' C ' ' A' ' 22' ' ' LEU . . . -77.36 -57.76 3.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.589 ' HB3' HD22 ' A' ' 34' ' ' LEU . 54.3 mt -39.55 -43.84 1.35 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.97 HG23 HD22 ' A' ' 19' ' ' LEU . 24.6 t -55.4 -65.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.283 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -58.46 -31.94 68.26 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.52 1.137 . . . . 0.0 110.302 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.514 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.8 OUTLIER -42.97 -65.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.123 . . . . 0.0 110.309 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.514 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 27.7 m-85 -111.65 -48.99 3.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.97 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 151.55 129.9 1.59 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.49 1.119 . . . . 0.0 111.03 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.692 ' HB3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -56.16 -28.22 57.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.539 0.787 . . . . 0.0 110.342 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -46.78 -35.27 6.04 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -100.37 72.11 1.59 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.572 1.17 . . . . 0.0 109.271 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.592 ' CD1' ' O ' ' A' ' 28' ' ' GLN . 99.0 m95 -69.43 -45.85 68.18 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 31' ' ' TRP . 24.6 mtpt -39.7 -56.96 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 36' ' ' SER . 10.7 t80 -61.89 -53.92 49.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.971 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 22' ' ' LEU . 68.6 mt -42.06 -67.55 0.25 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -45.59 -38.2 6.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 33' ' ' PHE . 0.3 OUTLIER -55.83 -38.32 69.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.09 . . . . 0.0 109.992 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.454 ' N ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -60.22 -34.79 74.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.105 . . . . 0.0 109.605 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.464 ' CE2' HD12 ' A' ' 22' ' ' LEU . 40.6 m-85 -82.05 164.72 47.04 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -89.72 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.443 ' O ' ' NH1' ' A' ' 41' ' ' ARG . 6.1 m-20 -94.27 74.47 3.95 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.546 ' NH2' ' CG2' ' A' ' 9' ' ' VAL . 52.7 mmt-85 -150.28 154.05 37.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.33 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.441 HG22 ' CG ' ' A' ' 45' ' ' GLN . 13.3 t -130.91 149.56 52.48 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.463 1.102 . . . . 0.0 110.392 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.401 ' HB3' ' N ' ' A' ' 32' ' ' LYS . 1.6 p-10 -40.39 -36.27 0.53 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.445 1.091 . . . . 0.0 109.281 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -62.62 -51.96 65.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.31 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.441 ' CG ' HG22 ' A' ' 42' ' ' THR . 13.3 mm-40 -58.21 -54.53 45.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 2.2 m -53.93 -62.56 1.58 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.586 1.179 . . . . 0.0 108.324 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.574 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 10.9 tt0 -50.82 -53.11 34.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.309 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.57 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 33.7 t80 -54.45 -64.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.523 ' HG2' ' CD2' ' A' ' 11' ' ' TRP . 16.2 tpt180 -48.33 -28.43 3.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.584 1.177 . . . . 0.0 110.312 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.868 ' CH2' HG11 ' A' ' 23' ' ' VAL . 1.3 t-105 -79.38 -62.12 1.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 33.6 mt -62.36 -7.54 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.445 1.091 . . . . 0.0 109.284 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 28.1 mmt-85 -104.43 -47.41 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.371 1.044 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.521 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 55.3 t -109.5 -62.66 2.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.488 1.117 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.594 ' O ' ' CD1' ' A' ' 50' ' ' TRP . 2.1 mt -74.83 68.19 1.71 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.09 80.14 1.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 109.98 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.21 -158.79 20.02 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 111.003 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 164.57 33.16 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.484 1.781 . . . . 0.0 111.005 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.8 p -65.54 123.96 21.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.899 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.24 80.26 2.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.996 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -140.91 -58.43 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 0.773 . . . . 0.0 109.996 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.7 t 59.98 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.962 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.24 67.26 0.37 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 m -121.47 104.5 9.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 0.783 . . . . 0.0 110.017 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -149.5 -55.56 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.003 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.96 174.26 9.55 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.028 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -163.32 -73.29 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.288 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.43 HG11 ' OE1' ' A' ' 45' ' ' GLN . 3.5 p -50.81 111.12 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.55 130.2 45.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.34 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' CD2' ' HG2' ' A' ' 49' ' ' ARG . 3.6 m95 -125.27 127.38 46.61 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 37.6 p -86.67 158.46 19.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 110.402 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -51.6 -51.56 54.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.582 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.1 mp0 -52.69 -31.69 38.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.15 . . . . 0.0 110.242 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -80.59 -43.54 20.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -62.95 -49.43 74.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 109.249 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -59.51 -34.87 73.15 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -61.72 -68.44 0.32 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.346 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.948 ' O ' HG23 ' A' ' 23' ' ' VAL . 17.3 tp -47.91 -37.35 14.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.337 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -59.58 -57.3 13.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.422 1.077 . . . . 0.0 110.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.23 -44.18 84.51 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.637 ' HB3' HD22 ' A' ' 34' ' ' LEU . 56.3 mt -51.29 -41.34 60.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 19' ' ' LEU . 49.4 t -56.96 -65.23 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 59.3 mtt180 -58.08 -32.93 68.53 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 110.359 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.55 ' HB3' ' CD1' ' A' ' 26' ' ' PHE . 0.1 OUTLIER -43.17 -66.91 0.32 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.553 1.158 . . . . 0.0 110.317 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.55 ' CD1' ' HB3' ' A' ' 25' ' ' GLN . 25.8 m-85 -113.51 -48.76 2.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.386 1.054 . . . . 0.0 111.024 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 148.95 128.25 1.68 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.514 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.597 ' O ' ' CD1' ' A' ' 31' ' ' TRP . 0.0 OUTLIER -55.38 -23.04 22.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 0.79 . . . . 0.0 110.326 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 12.5 mp0 -47.09 -38.77 11.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.549 1.156 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -98.77 73.85 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.601 ' CD1' ' OE1' ' A' ' 47' ' ' GLN . 97.9 m95 -68.68 -49.28 60.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' TRP . 3.6 mttm -39.56 -45.06 1.54 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.546 1.154 . . . . 0.0 109.328 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 14.5 t80 -69.98 -46.98 64.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.637 HD22 ' HB3' ' A' ' 22' ' ' LEU . 27.6 mt -55.81 -52.72 63.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.374 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 43' ' ' ASP . . . -50.81 -32.14 19.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.49 -39.02 92.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.411 1.07 . . . . 0.0 109.999 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -56.4 -22.5 32.01 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 -107.81 102.14 43.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 111.03 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 46.95 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.476 1.777 . . . . 0.0 111.048 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.9 p30 177.24 39.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -150.24 -174.76 4.83 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.553 1.158 . . . . 0.0 110.207 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.4 p -146.14 142.07 28.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 110.426 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 35' ' ' ALA . 4.0 p-10 -40.5 -38.01 0.78 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 48' ' ' TYR . 0.0 OUTLIER -65.92 -56.29 12.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.43 ' OE1' HG11 ' A' ' 9' ' ' VAL . 10.7 mm-40 -51.16 -42.42 60.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.291 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 4.4 m -63.66 -70.35 0.22 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.52 1.137 . . . . 0.0 108.349 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.601 ' OE1' ' CD1' ' A' ' 31' ' ' TRP . 2.4 tt0 -45.32 -48.1 13.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 52' ' ' ARG . 25.9 t80 -62.08 -63.16 1.33 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 110.969 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.677 ' CZ ' HG21 ' A' ' 53' ' ' VAL . 11.2 tpt180 -50.42 -22.75 2.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.461 1.101 . . . . 0.0 110.282 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TRP . . . . . 0.781 ' CZ3' HG21 ' A' ' 23' ' ' VAL . 1.8 t-105 -86.54 -60.73 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 107.98 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.13 -7.71 4.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.309 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.573 ' HG3' ' CE1' ' A' ' 48' ' ' TYR . 8.1 mmt85 -104.69 -47.4 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 110.329 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.677 HG21 ' CZ ' ' A' ' 49' ' ' ARG . 60.8 t -109.59 -62.65 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.502 ' C ' ' O ' ' A' ' 50' ' ' TRP . 2.0 mt -74.3 68.92 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 4.7 t -163.78 -58.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 175.79 73.72 0.05 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.576 1.172 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -56.31 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.533 1.807 . . . . 0.0 110.969 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.2 t -111.61 113.35 25.69 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.478 1.112 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.8 m 64.39 165.05 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.554 1.159 . . . . 0.0 109.987 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 O-C-N 124.492 1.12 . . . . 0.0 111.009 179.993 . . . . . . . . 0 0 . 1 stop_ save_