data_2cr9_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 2cr9 _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 ' 21' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' ALA . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 23' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 37' ' ' GLU . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 112' ' ' THR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 104' ' ' PHE . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' ' 23' ' ' VAL . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 ' NE ' ' A' ' 77' ' ' ARG . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 47' ' ' LEU . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.441 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' CE1' ' A' ' 129' ' ' TYR . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' HD21 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ALA . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 4.3 p-80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 43' ' ' PHE . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 43' ' ' PHE . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 112' ' ' THR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.494 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 104' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' NE ' ' A' ' 77' ' ' ARG . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' NE ' HG22 ' A' ' 75' ' ' ILE . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.409 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.534 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.506 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 35' ' ' VAL . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 104' ' ' PHE . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 23' ' ' VAL . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.518 ' CG ' HD12 ' A' ' 29' ' ' LEU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CE1' HD23 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 124' ' ' TYR . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.524 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.442 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.434 HG13 ' CG1' ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG21 ' CG ' ' A' ' 37' ' ' GLU . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 42' ' ' VAL . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 104' ' ' PHE . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HG ' ' CB ' ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 27' ' ' SER . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.598 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.613 ' CG2' ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 62' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.613 ' CE ' ' CG2' ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.531 ' CE2' HD21 ' A' ' 47' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.499 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 111' ' ' LYS . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 23' ' ' VAL . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HE2' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.48 HG23 ' CG ' ' A' ' 37' ' ' GLU . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.549 HD22 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 104' ' ' PHE . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.476 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 64' ' ' LEU . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.498 ' OE2' ' CE1' ' A' ' 34' ' ' HIS . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' NE ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.476 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 107' ' ' LEU . 15.3 t60 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.549 ' CE1' HD22 ' A' ' 47' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HG ' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.7 p-80 -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 42' ' ' VAL . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CE2' ' A' ' 43' ' ' PHE . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 35' ' ' VAL . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CE2' HD21 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.539 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.577 ' NH1' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 107' ' ' LEU . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 103' ' ' HIS . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.546 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.607 ' CE1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.607 HD21 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CB ' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.468 ' CB ' HD12 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG22 ' CG ' ' A' ' 37' ' ' GLU . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.588 HD23 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 104' ' ' PHE . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 27' ' ' SER . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.477 ' CZ2' ' OE1' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.477 ' OE1' ' CZ2' ' A' ' 74' ' ' TRP . 19.1 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' HD23 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' CE2' ' A' ' 124' ' ' TYR . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 122' ' ' THR . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 129' ' ' TYR . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.403 HG13 ' CG1' ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.496 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 108' ' ' TYR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.424 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' CZ ' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 23' ' ' VAL . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.404 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.465 ' CG2' ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.556 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.509 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CG ' HD22 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.467 ' CE1' HD11 ' A' ' 47' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.489 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.434 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.538 ' CE1' HD21 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 129' ' ' TYR . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.477 ' CB ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.497 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.654 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 104' ' ' PHE . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 27' ' ' SER . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' GLU . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 107' ' ' LEU . 18.9 t60 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 47' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.554 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.566 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.529 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.447 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' HG11 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 21' ' ' ALA . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 43' ' ' PHE . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 29' ' ' LEU . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HA ' ' SD ' ' A' ' 94' ' ' MET . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.599 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.401 HD21 ' HA3' ' A' ' 48' ' ' GLY . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CB ' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' ALA . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 1.4 p-80 -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG11 ' A' ' 35' ' ' VAL . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.499 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 104' ' ' PHE . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.488 ' CD2' HG22 ' A' ' 23' ' ' VAL . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 4.1 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CG2' ' NE ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.532 ' CZ ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.629 ' CE1' HD22 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD2' HD22 ' A' ' 62' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.629 HD22 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.467 ' HB ' ' CE1' ' A' ' 121' ' ' PHE . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 129' ' ' TYR . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.465 ' CG2' HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 68' ' ' ASP . 17.7 p-80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' CG1' HG11 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.429 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.422 HG11 ' CG1' ' A' ' 35' ' ' VAL . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.448 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.448 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 104' ' ' PHE . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 23' ' ' VAL . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.538 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 44.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.44 ' CD ' HD11 ' A' ' 107' ' ' LEU . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.451 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.616 ' CE1' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.616 HD23 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 47' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.419 ' CG2' HD22 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.478 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 129' ' ' TYR . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.491 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' A' ' 42' ' ' VAL . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 43' ' ' PHE . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 35' ' ' VAL . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.429 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 29' ' ' LEU . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' NE2' ' A' ' 93' ' ' GLN . 4.6 ttt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.651 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.433 ' NE ' HD12 ' A' ' 107' ' ' LEU . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.469 ' NE2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.427 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.584 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.596 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.466 ' CG2' HD22 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 129' ' ' TYR . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.599 ' HG ' ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.9 p-80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 43' ' ' PHE . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 35' ' ' VAL . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 36' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.563 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.433 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.599 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG1' ' SD ' ' A' ' 94' ' ' MET . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.473 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 29' ' ' LEU . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 94' ' ' MET . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.479 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 47' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.545 ' CD2' ' CE1' ' A' ' 129' ' ' TYR . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.597 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.498 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.45 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 43' ' ' PHE . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.442 ' OG1' ' NZ ' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.587 HD12 ' CE2' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 58' ' ' SER . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.442 ' NZ ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' OG ' ' A' ' 44' ' ' SER . 11.1 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.629 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CE3' HD23 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CE2' ' CD2' ' A' ' 43' ' ' PHE . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 47' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.448 ' CG2' ' CD2' ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.49 ' CE1' HD22 ' A' ' 131' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 129' ' ' TYR . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' HD23 ' A' ' 65' ' ' LEU . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.514 HD13 ' CE3' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 23.0 p-80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.524 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.452 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG1' HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.423 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 104' ' ' PHE . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 36' ' ' LEU . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 23' ' ' VAL . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.514 ' CE3' HD13 ' A' ' 29' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CD2' HD21 ' A' ' 62' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 47' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.45 ' CG2' HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.408 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.496 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.495 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 129' ' ' TYR . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.6 p-80 -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.418 ' N ' HG21 ' A' ' 23' ' ' VAL . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' HG12 ' A' ' 101' ' ' ILE . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 49' ' ' LEU . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 104' ' ' PHE . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.562 ' CD2' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.401 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.499 ' NE2' ' NH1' ' A' ' 77' ' ' ARG . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE2' HD23 ' A' ' 47' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.402 ' CG2' HD12 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 68' ' ' ASP . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 37' ' ' GLU . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.641 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 104' ' ' PHE . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 73' ' ' TYR . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.411 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . 0.404 ' CG ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.443 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.443 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' MET . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . 0.612 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' HD22 ' A' ' 62' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.612 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 47' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 124' ' ' TYR . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.634 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.641 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.557 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.58 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 74' ' ' TRP . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 129' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 104' ' ' PHE . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 72' ' ' ARG . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.591 ' CD2' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.486 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CD2' HD22 ' A' ' 62' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.53 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CB ' HD21 ' A' ' 64' ' ' LEU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.589 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TRP . . . . . 0.596 ' CG ' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 47' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.589 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' THR . . . . . 0.462 ' CG2' HD23 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.597 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.597 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' TYR . . . . . 0.6 ' CE1' HD22 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.22 152.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.053 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -175.21 170.27 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 163.59 32.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.58 167.99 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 171.35 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 164.9 37.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.98 112.47 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -170.33 124.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.68 159.67 35.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 106.52 11.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -65.78 105.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmt -127.56 84.59 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.15 80.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.61 131.51 7.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.5 p -120.72 82.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.03 105.31 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -171.99 169.6 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.48 8.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.65 -86.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' HB1' ' CG1' ' A' ' 42' ' ' VAL . . . -85.32 165.48 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' HD21 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 33' ' ' ALA . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.454 HG22 ' CG2' ' A' ' 23' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.482 HG21 ' CG ' ' A' ' 37' ' ' GLU . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.461 HD12 ' CG2' ' A' ' 112' ' ' THR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.431 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.495 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.529 HD22 ' CD1' ' A' ' 104' ' ' PHE . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.559 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD21 ' CG1' ' A' ' 23' ' ' VAL . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -108.9 44.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -114.45 -67.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -128.62 -54.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 170.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 -151.93 166.56 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.401 HG22 ' NE ' ' A' ' 77' ' ' ARG . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -59.25 172.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 47.5 t -93.94 115.84 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.33 77.12 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -154.5 -165.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 0.733 . . . . 0.0 110.447 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.48 -14.46 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 52.6 mt -76.79 165.78 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.48 100.85 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 153.22 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 0.733 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.457 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.461 ' CG2' HD12 ' A' ' 47' ' ' LEU . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.495 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.421 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.441 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD23 ' CE1' ' A' ' 129' ' ' TYR . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.74 102.0 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.2 mt -97.29 131.61 43.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 t -158.16 139.53 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.26 -178.36 21.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.44 35.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.38 141.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.13 161.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -150.24 -59.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.48 167.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 165.58 37.1 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -176.82 170.44 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.726 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.14 168.92 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . -179.56 161.47 27.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -166.57 161.9 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -131.39 113.31 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -176.39 155.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.35 148.25 16.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 86.97 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.4 mmm -140.75 144.15 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.98 175.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.25 80.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -93.36 -27.46 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.82 -72.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.14 -119.83 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.28 -128.09 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.19 164.25 25.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG2' HD21 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' A' ' 33' ' ' ALA . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.46 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 4.3 p-80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.48 HD12 ' CD1' ' A' ' 43' ' ' PHE . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.45 HG11 ' N ' ' A' ' 43' ' ' PHE . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.457 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 HD11 ' CG2' ' A' ' 112' ' ' THR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.494 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.578 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 104' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.462 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -38.36 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.18 -5.88 38.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 68.3 mt-10 59.85 78.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 70' ' ' GLU . 78.1 m-20 -165.32 -54.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -100.5 141.19 33.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.556 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.425 HG22 ' NE ' ' A' ' 77' ' ' ARG . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' NE ' HG22 ' A' ' 75' ' ' ILE . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -79.28 173.27 12.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.2 115.7 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.27 86.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 7.2 m -134.41 -176.02 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.358 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 m -77.66 -32.99 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.32 158.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.22 117.18 0.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.84 168.14 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.409 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.534 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.506 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 106' ' ' LYS . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.578 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.521 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.421 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.606 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.603 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.5 mm -52.75 134.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.04 101.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.52 147.79 5.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -55.34 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.22 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -148.18 170.19 18.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.31 103.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 -143.98 1.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 179.86 136.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -170.33 168.67 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.82 -162.43 33.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 64.56 125.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.65 105.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.8 151.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.22 175.17 12.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.16 154.59 38.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.66 100.95 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -101.03 107.45 18.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 tp -174.43 124.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.9 t -177.4 161.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.88 -65.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.59 114.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.98 -119.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.83 165.3 18.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -73.63 164.95 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.409 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.461 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.469 ' CG1' ' HB1' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 HD21 ' CD1' ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.467 ' CG1' HG11 ' A' ' 35' ' ' VAL . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.482 ' CD2' HD11 ' A' ' 64' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.508 HD23 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.524 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.588 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.5 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.548 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.503 HD23 ' CD1' ' A' ' 104' ' ' PHE . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.555 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.472 HD22 ' CG2' ' A' ' 23' ' ' VAL . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 3.0 m-20 -66.46 -50.99 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 25.7 mttt -158.85 54.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -134.56 -110.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -179.16 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 -151.31 156.35 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.518 ' CG ' HD12 ' A' ' 29' ' ' LEU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.5 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 -121.91 1.83 9.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.451 ' HB ' ' O ' ' A' ' 81' ' ' ARG . 92.3 t 69.86 -79.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.37 -66.74 0.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.8 p -52.18 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.53 -14.77 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -43.36 155.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.16 97.74 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m -108.01 135.01 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.467 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CE1' HD23 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.548 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 119' ' ' LYS . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.41 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.573 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.412 ' CG ' ' HB3' ' A' ' 124' ' ' TYR . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.573 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.524 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 94.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.9 mp -83.03 -69.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.49 170.62 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.67 -165.36 20.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.0 p 41.45 88.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.19 79.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 140.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -154.53 167.84 28.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.87 109.79 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.45 164.45 24.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.29 165.22 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 134.61 13.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.69 159.24 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m 63.23 169.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -172.4 165.71 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 75.58 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -136.7 98.57 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.6 mtp 59.11 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 139.66 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' O ' ' CG2' ' A' ' 16' ' ' THR . 4.1 mt -146.17 81.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.44 ' CG2' ' O ' ' A' ' 15' ' ' LEU . 14.8 t 47.32 -174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.5 106.05 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.32 125.18 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 152.93 12.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.63 -150.45 16.07 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.66 165.02 25.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.442 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.443 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 HG13 ' CG1' ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG21 ' CG ' ' A' ' 37' ' ' GLU . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.439 ' N ' HG13 ' A' ' 42' ' ' VAL . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.531 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.464 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.506 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.443 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.555 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.416 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.569 HD23 ' CD2' ' A' ' 104' ' ' PHE . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.493 ' HG ' ' CB ' ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.442 HD11 ' CB ' ' A' ' 27' ' ' SER . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.598 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.41 -18.14 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.46 12.22 15.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 46.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -173.66 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 -116.03 120.79 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.598 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.416 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CZ ' HD12 ' A' ' 86' ' ' ILE . 2.0 mpp_? -51.18 151.58 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.06 -63.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.89 71.58 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.46 ' HB ' ' CB ' ' A' ' 81' ' ' ARG . 3.5 m -145.68 -167.31 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.6 m -78.69 -29.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.461 HD12 ' CZ ' ' A' ' 81' ' ' ARG . 64.5 mt -66.85 140.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.36 110.23 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 166.13 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.452 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.613 ' CG2' ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.569 ' CD2' HD23 ' A' ' 62' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.613 ' CE ' ' CG2' ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.531 ' CE2' HD21 ' A' ' 47' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.555 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.447 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.447 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.499 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CD2' ' HB3' ' A' ' 111' ' ' LYS . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.447 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.464 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.57 132.43 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 21.6 mm -115.09 125.94 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.7 t -168.3 146.91 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.5 155.97 16.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.37 2.26 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.3 p 179.03 83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.9 p -178.79 162.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.71 -58.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -133.74 163.75 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.8 174.32 15.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 122.91 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 82.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.47 93.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -132.24 -63.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 154.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -163.65 148.77 10.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 -68.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -151.17 132.28 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.87 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.78 129.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -87.54 169.61 12.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -111.23 -32.89 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.88 54.13 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 146.93 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.3 79.52 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.03 178.58 4.31 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . -126.52 161.44 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.445 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.437 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 HG21 ' CG2' ' A' ' 23' ' ' VAL . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.532 ' CD1' ' HE2' ' A' ' 97' ' ' LYS . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.489 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.48 HG23 ' CG ' ' A' ' 37' ' ' GLU . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.549 HD22 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.56 HD21 ' CD1' ' A' ' 104' ' ' PHE . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.476 HD13 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' O ' HD13 ' A' ' 64' ' ' LEU . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.498 ' OE2' ' CE1' ' A' ' 34' ' ' HIS . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 -98.39 -61.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -46.12 -60.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -103.71 -168.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -111.02 82.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 -141.11 161.93 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' NE ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.522 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.461 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -61.04 165.23 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.93 -64.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -117.21 64.56 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.461 ' HB ' ' CB ' ' A' ' 81' ' ' ARG . 7.8 m -141.88 -172.9 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 11.8 m -74.53 -33.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 87' ' ' GLY . 25.4 mt -59.27 165.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' HG21 ' A' ' 86' ' ' ILE . . . 139.8 113.84 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.2 169.54 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.476 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.648 ' CD ' ' CE2' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.476 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 107' ' ' LEU . 15.3 t60 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.522 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.549 ' CE1' HD22 ' A' ' 47' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 140.3 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mt -138.1 152.78 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 t -137.85 165.13 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -127.52 158.22 21.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.0 t -148.4 -57.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.89 172.02 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -167.01 171.96 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -166.19 163.35 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.11 140.02 5.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' HG ' ' N ' ' A' ' 6' ' ' SER . 30.3 t 178.99 163.2 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.411 ' N ' ' HG ' ' A' ' 5' ' ' SER . 3.2 m -177.25 166.97 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.05 104.89 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 177.67 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -135.54 166.99 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.23 169.86 21.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.52 147.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.84 166.59 31.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.98 169.22 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 160.32 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -174.13 138.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -104.77 146.71 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.13 143.55 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.72 159.84 44.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.44 87.59 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.44 146.19 2.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CB ' ' A' ' 35' ' ' VAL . . . -73.73 165.14 25.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG23 ' CD2' ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.567 ' HG ' ' CE3' ' A' ' 74' ' ' TRP . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.42 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.7 p-80 -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.478 HG11 ' CG1' ' A' ' 42' ' ' VAL . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD21 ' CE2' ' A' ' 43' ' ' PHE . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.478 ' CG1' HG11 ' A' ' 35' ' ' VAL . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.471 ' CE2' HD21 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.539 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.493 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.441 HD21 ' CD2' ' A' ' 43' ' ' PHE . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' CD2' HG23 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.526 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 -36.46 -49.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -96.16 -89.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 178.16 93.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -167.05 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 -111.41 136.18 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.526 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.577 ' NH1' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -77.38 158.72 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 83' ' ' GLY . 68.8 t -84.9 149.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.423 ' N ' HG12 ' A' ' 82' ' ' VAL . . . 74.15 -57.26 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.5 p -47.42 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 m -95.7 -14.08 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.1 mt -53.04 126.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.52 111.81 0.49 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.38 146.31 51.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.464 ' CG1' HD22 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.579 ' CD2' HD13 ' A' ' 107' ' ' LEU . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.579 HD13 ' CD2' ' A' ' 103' ' ' HIS . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.546 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.519 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.607 ' CE1' HD21 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.607 HD21 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 107.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.407 HG23 ' N ' ' A' ' 134' ' ' SER . 4.3 mt -108.17 137.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.407 ' N ' HG23 ' A' ' 133' ' ' ILE . 74.5 p -174.81 89.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.31 166.32 35.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.56 5.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.85 162.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.9 t -81.76 144.4 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -173.13 159.87 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.83 164.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 -178.19 45.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.28 164.66 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -160.69 147.6 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 175.82 18.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -151.93 89.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -71.37 131.31 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -170.21 169.78 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.8 72.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.418 ' CZ ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.85 134.19 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mtm -145.28 90.95 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.418 ' HG3' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -110.13 -64.72 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.07 118.23 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -167.04 164.14 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.02 -60.59 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 155.16 12.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.64 -113.6 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.54 -178.3 31.94 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.48 ' HB1' ' CB ' ' A' ' 35' ' ' VAL . . . -91.56 164.41 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.468 ' CB ' HD12 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.48 ' CB ' ' HB1' ' A' ' 21' ' ' ALA . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' N ' HD21 ' A' ' 36' ' ' LEU . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG22 ' CG ' ' A' ' 37' ' ' GLU . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.537 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.588 HD23 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.441 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.567 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.528 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.591 HD23 ' CD2' ' A' ' 104' ' ' PHE . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 HD12 ' CB ' ' A' ' 27' ' ' SER . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -82.52 -35.06 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -85.24 -77.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 2.1 mm-40 -79.82 -163.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -120.31 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -152.56 134.59 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.477 ' CZ2' ' OE1' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.484 HG21 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -75.3 106.21 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.567 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.16 153.05 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.41 19.55 66.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 21.2 m -136.53 -128.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.425 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.475 ' O ' ' C ' ' A' ' 86' ' ' ILE . 14.6 m -131.71 -48.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 85' ' ' VAL . 83.1 mt -34.79 147.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.58 137.11 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 177.47 173.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.477 ' OE1' ' CZ2' ' A' ' 74' ' ' TRP . 19.1 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 31.5 t60 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.591 ' CD2' HD23 ' A' ' 62' ' ' LEU . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.588 ' CE1' HD23 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.528 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.422 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.534 HG22 ' CE2' ' A' ' 124' ' ' TYR . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.534 ' CE2' HG22 ' A' ' 122' ' ' THR . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.505 ' CE1' HD22 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.505 HD22 ' CE1' ' A' ' 129' ' ' TYR . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.82 120.36 25.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mp -116.44 138.48 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -166.79 81.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.24 11.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.72 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.07 85.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m 58.5 162.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -168.58 170.91 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 110.057 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -140.33 -60.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 -103.93 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 153.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p 179.71 169.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 -177.81 27.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 174.64 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -168.89 171.78 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.43 168.41 19.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 158.55 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.15 143.73 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttm -159.62 153.49 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.67 91.4 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.63 113.88 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.74 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -105.19 -54.83 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.06 179.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.56 -66.83 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.0 157.93 9.54 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 42' ' ' VAL . . . -76.01 165.15 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.466 ' CG2' HD23 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 HD13 ' CD1' ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.41 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.403 HG13 ' CG1' ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' N ' ' A' ' 37' ' ' GLU . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.496 ' N ' HD21 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.467 HD11 ' CE1' ' A' ' 108' ' ' TYR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.533 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.424 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.554 ' CB ' HG11 ' A' ' 82' ' ' VAL . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.489 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 HD11 ' CZ ' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.524 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 HD23 ' CG2' ' A' ' 23' ' ' VAL . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.571 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -24.17 67.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.42 9.03 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 44.34 90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -167.02 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -114.62 121.03 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.404 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.465 ' CG2' ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.556 ' CZ ' HD11 ' A' ' 62' ' ' LEU . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -78.35 174.72 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.554 HG11 ' CB ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -117.89 109.72 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.25 27.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 p -117.21 -161.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.1 m -103.19 -15.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 86' ' ' ILE . 4.8 mm -52.23 169.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' N ' ' CG2' ' A' ' 86' ' ' ILE . . . 148.06 124.08 1.41 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.93 157.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 0.728 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.404 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.47 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.509 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.539 ' CG ' HD22 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.472 HD12 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.467 ' CE1' HD11 ' A' ' 47' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.489 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.513 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.434 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.538 ' CE1' HD21 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.538 HD21 ' CE1' ' A' ' 129' ' ' TYR . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.54 65.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 134' ' ' SER . 9.0 mt -132.17 164.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 43.7 t -147.96 92.9 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 87.89 133.84 4.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.9 30.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.32 120.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 139' ' ' GLY . 23.4 m -168.68 101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 138' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -172.84 169.32 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.756 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -152.34 165.96 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.28 -177.36 24.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -151.76 156.38 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.43 167.73 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 -147.19 11.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 82.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -110.07 150.93 27.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -175.97 117.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 176.81 176.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.78 133.34 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tpt -176.24 149.05 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 131.76 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.65 138.87 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -80.39 -36.2 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.97 161.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 127.7 45.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 179.08 16.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.61 159.19 23.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.472 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . . . -88.1 165.43 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.467 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' CB ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.505 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.497 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.562 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.529 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.654 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.513 HD23 ' CD1' ' A' ' 104' ' ' PHE . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.562 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD13 ' CB ' ' A' ' 27' ' ' SER . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.09 -56.94 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -54.88 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.69 -151.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.69 91.56 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 -150.13 156.0 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.493 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.433 ' HG2' ' CG2' ' A' ' 84' ' ' THR . 14.4 ttt180 -97.61 142.56 29.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -75.19 141.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.04 52.28 50.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.433 ' CG2' ' HG2' ' A' ' 81' ' ' ARG . 2.4 p -155.26 177.48 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 m -96.45 -20.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.92 121.61 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 120.66 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m -121.76 126.57 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.032 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.4 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 98' ' ' GLU . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.495 ' O ' ' CD2' ' A' ' 107' ' ' LEU . 18.9 t60 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE2' HD21 ' A' ' 47' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.554 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.477 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.566 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.654 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.566 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.477 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.529 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -140.71 113.1 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.3 -69.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 96.5 p 179.67 163.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.18 134.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 152.03 40.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.449 1.763 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.6 m -97.13 162.1 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.13 -60.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -164.74 163.99 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -163.93 156.01 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 159.76 33.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.41 162.12 30.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -136.0 -60.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.81 152.79 21.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.28 148.14 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -172.37 147.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -175.16 149.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.73 135.31 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -140.15 137.55 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttt -173.27 94.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.89 106.32 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.32 139.98 33.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -144.68 142.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -174.52 114.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.81 -61.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.52 -101.04 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.18 -149.01 17.39 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' CB ' HG12 ' A' ' 42' ' ' VAL . . . -109.6 165.05 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.459 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.447 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.589 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' CG1' HG11 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.579 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 HG12 ' CB ' ' A' ' 21' ' ' ALA . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.415 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.421 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.536 HD22 ' CD2' ' A' ' 43' ' ' PHE . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' CD1' HD22 ' A' ' 29' ' ' LEU . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 -37.91 -44.45 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -73.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 172.18 88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -134.85 -52.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -146.92 148.29 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.407 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -94.47 161.61 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -91.82 137.2 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.78 53.12 47.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -143.01 178.13 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.84 -18.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.6 mt -67.69 121.48 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.03 106.2 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m -109.76 124.76 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.407 ' HA ' ' SD ' ' A' ' 94' ' ' MET . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.563 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.599 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.468 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.45 ' HB2' ' CB ' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.503 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.401 HD21 ' HA3' ' A' ' 48' ' ' GLY . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.34 127.03 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.417 HG23 ' N ' ' A' ' 134' ' ' SER . 2.7 mp -119.73 161.65 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -159.86 134.98 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -110.58 135.85 13.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.63 133.22 12.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -50.28 104.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.73 157.89 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 0.817 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.71 169.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 150.2 20.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -145.26 161.88 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -145.15 156.35 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 140.67 7.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -131.26 171.57 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -70.9 171.1 11.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -45.24 167.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -131.8 157.13 44.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -145.99 116.35 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.36 106.61 1.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 149.07 31.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 102.82 14.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 p -88.9 173.64 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -158.19 73.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.96 167.4 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.41 128.14 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.47 -100.44 1.99 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CB ' ' A' ' 35' ' ' VAL . . . -76.5 165.12 25.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.488 HG22 ' CD2' ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 33' ' ' ALA . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 1.4 p-80 -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' CB ' ' HB2' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.474 ' CG1' HG11 ' A' ' 35' ' ' VAL . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.574 HD23 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.499 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.53 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.566 ' CB ' HG12 ' A' ' 82' ' ' VAL . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.584 HD22 ' CD2' ' A' ' 104' ' ' PHE . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.515 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.488 ' CD2' HG22 ' A' ' 23' ' ' VAL . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.616 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 4.1 t0 -53.69 -27.36 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.1 mmmp? -102.28 16.29 26.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' LYS . 1.4 mt-10 45.96 95.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -159.02 -66.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -112.35 137.58 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.616 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.477 ' CG2' ' NE ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.532 ' CZ ' ' CD1' ' A' ' 62' ' ' LEU . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -75.52 177.08 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.566 HG12 ' CB ' ' A' ' 57' ' ' ASN . 1.3 m -117.0 132.95 65.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.64 6.44 89.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 p -110.31 -161.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.07 -15.13 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 87' ' ' GLY . 47.4 mt -68.9 152.26 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 154.01 121.08 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.05 170.7 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.629 ' CE1' HD22 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' CD2' HD22 ' A' ' 62' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.629 HD22 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.574 ' CE2' HD23 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.467 ' HB ' ' CE1' ' A' ' 121' ' ' PHE . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.467 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.53 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.436 HD21 ' CE1' ' A' ' 129' ' ' TYR . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.39 110.46 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.12 153.51 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.53 160.8 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.72 15.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t -130.06 142.22 50.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.3 m -160.39 122.66 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.76 126.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.92 155.43 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.15 177.21 18.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -140.15 168.84 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 p 178.09 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.83 111.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.46 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.8 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 99.27 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.33 136.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.93 145.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -168.06 94.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.99 121.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.2 113.29 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.95 174.11 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 142.84 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 -171.18 14.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.58 -163.77 23.64 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.37 164.45 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.465 ' CG2' HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 33' ' ' ALA . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.538 ' CE1' ' HB2' ' A' ' 68' ' ' ASP . 17.7 p-80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' CG1' HG11 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.521 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.429 ' N ' HD21 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.422 HG11 ' CG1' ' A' ' 35' ' ' VAL . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.589 HD13 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.448 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.432 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.424 ' O ' ' N ' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.564 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 104' ' ' PHE . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.514 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.465 HD22 ' CG2' ' A' ' 23' ' ' VAL . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.496 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.538 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 44.7 t0 -110.69 57.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.27 -67.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -118.41 -71.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.09 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -151.85 151.85 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.44 ' CD ' HD11 ' A' ' 107' ' ' LEU . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -83.48 112.98 20.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.564 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -64.07 115.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.34 -1.88 29.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.2 p -122.36 -165.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.33 -16.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 87' ' ' GLY . 81.7 mt -60.08 147.17 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 155.33 133.59 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.49 178.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.482 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.451 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.616 ' CE1' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.616 HD23 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.589 ' CE1' HD13 ' A' ' 47' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.419 ' CG2' HD22 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.478 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.532 HD21 ' CE1' ' A' ' 129' ' ' TYR . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.9 111.23 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.87 135.58 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -165.69 139.97 4.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.62 159.62 27.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.5 m -125.05 168.36 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.3 167.28 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 67.24 146.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.45 162.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.57 177.07 25.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -163.84 159.59 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.01 144.8 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.45 146.69 13.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.71 146.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.1 p -147.15 125.13 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.1 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 158.23 43.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.03 141.74 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -175.46 150.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -160.08 149.24 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.11 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -76.95 -43.72 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 72.7 mt 58.99 79.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.11 75.24 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.92 135.03 3.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.13 -120.07 0.97 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB3' ' CB ' ' A' ' 35' ' ' VAL . . . -78.94 165.18 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' O ' ' OG ' ' A' ' 27' ' ' SER . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.406 ' OG ' ' O ' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.491 ' CD2' ' HG2' ' A' ' 66' ' ' GLU . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.476 HG13 ' CG1' ' A' ' 42' ' ' VAL . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' CE2' ' A' ' 43' ' ' PHE . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.476 ' CG1' HG13 ' A' ' 35' ' ' VAL . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.427 ' CE2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.519 ' CB ' ' CE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.466 HD22 ' CG2' ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.484 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.429 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.429 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.45 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.407 ' O ' ' N ' ' A' ' 82' ' ' VAL . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.446 ' CD1' HD21 ' A' ' 29' ' ' LEU . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.651 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.09 -43.18 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -76.39 -75.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 6.3 mm-40 -78.49 -166.29 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -125.21 81.19 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' NE2' ' A' ' 93' ' ' GLN . 4.6 ttt180 -150.01 120.1 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.651 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.463 ' CD1' ' HB3' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' NE ' HD12 ' A' ' 107' ' ' LEU . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.484 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -66.16 179.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.407 ' N ' ' O ' ' A' ' 57' ' ' ASN . 76.4 t -109.29 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.46 19.1 37.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.484 ' HB ' ' CB ' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -122.19 -179.18 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.374 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 m -86.54 -34.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.06 119.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 119.81 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.74 163.59 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.469 ' NE2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.427 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.459 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.584 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.512 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.584 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.596 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.466 ' CG2' HD22 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.582 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.582 HD23 ' CE1' ' A' ' 129' ' ' TYR . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.04 96.51 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.75 134.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -176.94 102.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 164.94 134.27 1.63 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.4 p -128.18 157.61 40.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 -60.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -174.6 166.91 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -177.68 169.39 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.9 -167.41 11.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.99 87.83 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -179.01 169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.68 170.3 34.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -92.31 175.88 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -143.3 169.35 17.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 51.93 75.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -122.96 134.5 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.04 92.68 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -166.09 163.72 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -94.41 -69.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.74 136.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.3 p -127.53 117.85 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.8 mt -129.42 178.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -130.47 166.16 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.2 156.28 26.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.57 -159.17 25.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB2' ' CG1' ' A' ' 42' ' ' VAL . . . -73.94 165.37 25.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 HG22 ' CD1' ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.599 ' HG ' ' CE3' ' A' ' 74' ' ' TRP . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.406 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.9 p-80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.464 HG12 ' CG1' ' A' ' 42' ' ' VAL . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD22 ' CE2' ' A' ' 43' ' ' PHE . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.464 ' CG1' HG12 ' A' ' 35' ' ' VAL . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CE2' HD22 ' A' ' 36' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.58 HD13 ' CE1' ' A' ' 108' ' ' TYR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.563 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.434 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.45 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.433 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.54 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 32.0 t0 -87.14 47.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 6.7 mttp -162.38 -54.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -117.76 -170.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -94.11 57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -118.06 151.66 37.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.599 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' CG1' ' SD ' ' A' ' 94' ' ' MET . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.411 ' HB3' ' OG1' ' A' ' 84' ' ' THR . 0.1 OUTLIER -62.87 158.65 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.6 t -73.83 -44.94 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.41 75.69 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 2.9 m -144.69 -75.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 t -173.59 -50.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 ' CG2' ' HA2' ' A' ' 80' ' ' GLY . 76.7 mt -54.0 134.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.35 102.43 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.473 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.488 HD13 ' CD2' ' A' ' 29' ' ' LEU . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.43 ' N ' ' SD ' ' A' ' 94' ' ' MET . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.429 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.479 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.449 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 47' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.413 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.477 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.545 ' CD2' ' CE1' ' A' ' 129' ' ' TYR . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.95 69.51 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.69 153.47 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.73 144.37 34.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.57 -157.23 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.81 5.36 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -51.77 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.8 t -61.31 -53.49 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.0 160.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.53 169.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.32 -172.5 32.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 p -174.78 158.69 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -162.22 150.86 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.26 175.62 20.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 118.39 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 109.67 21.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.86 150.58 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -120.18 111.27 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 116.85 5.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.17 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.59 169.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 161.04 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p -64.8 151.02 46.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.49 138.94 51.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.33 67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.99 111.98 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.6 -63.19 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HB1' ' CG2' ' A' ' 35' ' ' VAL . . . -132.31 102.93 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.472 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.597 HD23 ' CE3' ' A' ' 74' ' ' TRP . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.477 ' N ' ' HD1' ' A' ' 31' ' ' HIS . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.477 ' CB ' ' HG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.498 ' CG2' ' HB1' ' A' ' 21' ' ' ALA . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.45 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.458 HG13 ' N ' ' A' ' 43' ' ' PHE . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.452 ' OG ' ' NE2' ' A' ' 63' ' ' GLN . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.442 ' OG1' ' NZ ' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.587 HD12 ' CE2' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.464 ' O ' ' N ' ' A' ' 58' ' ' SER . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.442 ' NZ ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD21 ' CD1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' OG ' ' A' ' 44' ' ' SER . 11.1 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' HB2' ' CD1' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.44 ' CD2' ' CG2' ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.629 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -37.69 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -82.81 5.46 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 47.93 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -176.83 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -116.64 133.56 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.629 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.597 ' CE3' HD23 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? -59.36 167.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.08 -68.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.56 64.55 0.91 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.0 m -152.66 -168.5 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.38 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 17.6 m -91.03 -31.2 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.421 HG21 ' N ' ' A' ' 87' ' ' GLY . 6.1 mt -48.49 159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.421 ' N ' HG21 ' A' ' 86' ' ' ILE . . . 145.73 122.87 1.52 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.4 167.2 26.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.409 ' N ' ' C ' ' A' ' 98' ' ' GLU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' CE2' ' CD2' ' A' ' 43' ' ' PHE . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.42 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.587 ' CE2' HD12 ' A' ' 47' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.448 ' CG2' ' CD2' ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.548 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.496 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.49 ' CE1' HD22 ' A' ' 131' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.49 HD22 ' CE1' ' A' ' 129' ' ' TYR . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 129.74 54.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mp -136.27 137.68 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -104.3 177.38 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.52 144.15 27.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.86 10.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 p -99.13 -59.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.88 160.67 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.38 169.9 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.17 170.46 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 153.37 -64.93 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 79.28 -62.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -179.83 174.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -122.26 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.73 165.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.89 117.67 8.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -113.27 -174.28 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -134.95 126.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.64 149.42 31.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.74 135.9 38.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -156.91 179.4 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -153.02 165.01 36.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.54 179.81 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.67 -166.21 17.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.11 -70.75 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . -125.99 103.61 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' CG2' HD23 ' A' ' 65' ' ' LEU . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.514 HD13 ' CE3' ' A' ' 74' ' ' TRP . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.411 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 23.0 p-80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.524 ' CG2' ' HB2' ' A' ' 21' ' ' ALA . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.452 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' CG1' HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.58 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.568 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.423 ' N ' HD12 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.53 HD21 ' CD2' ' A' ' 104' ' ' PHE . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 36' ' ' LEU . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 23' ' ' VAL . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' HB2' ' CD2' ' A' ' 73' ' ' TYR . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -92.01 53.92 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -146.18 -89.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.4 mm-40 -90.72 42.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLU . 34.9 m-80 39.21 62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 -111.3 172.9 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.514 ' CE3' HD13 ' A' ' 29' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -77.39 -173.03 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.1 t -114.91 88.17 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.22 -42.58 1.9 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -52.35 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.415 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.93 -30.75 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 85.4 mt -57.15 122.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.65 114.17 0.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 163.36 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CD2' HD21 ' A' ' 62' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.406 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.58 ' CE1' HD12 ' A' ' 47' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.45 ' CG2' HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.408 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.496 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.495 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.546 HD22 ' CE1' ' A' ' 129' ' ' TYR . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.25 86.04 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.2 mm -68.2 133.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -87.51 -59.46 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.05 149.55 18.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 79.75 2.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 51.59 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.46 171.47 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -172.37 169.71 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 175.49 44.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.26 170.76 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 167.06 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 118.5 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -116.97 163.11 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.69 165.24 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.67 153.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -77.28 162.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.55 130.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 169.56 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.53 165.37 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -118.71 128.67 54.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -116.45 153.98 31.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.06 153.42 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 -64.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.2 164.3 29.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.96 -143.71 8.93 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.479 ' HB3' ' CG1' ' A' ' 42' ' ' VAL . . . -110.23 163.29 13.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.47 ' CG2' ' HA ' ' A' ' 34' ' ' HIS . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.562 HD21 ' CD2' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.448 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 1.6 p-80 -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' N ' HG21 ' A' ' 23' ' ' VAL . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.408 ' CE2' HG12 ' A' ' 101' ' ' ILE . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD23 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.51 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.415 ' N ' HD12 ' A' ' 49' ' ' LEU . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.435 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.435 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.518 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.553 HD23 ' CD2' ' A' ' 104' ' ' PHE . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.552 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.632 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.604 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.17 -36.37 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -91.98 31.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ASP . 5.2 pt-20 36.7 36.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -75.15 -80.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.5 165.48 20.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.562 ' CD2' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 167.27 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.27 -65.28 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -72.5 57.44 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.5 p -155.68 171.26 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.8 m -95.96 -22.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mt -59.56 138.68 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.86 107.24 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -106.91 139.43 41.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.499 ' NE2' ' NH1' ' A' ' 77' ' ' ARG . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.553 ' CD2' HD23 ' A' ' 62' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' O ' ' HG2' ' A' ' 110' ' ' GLU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE2' HD23 ' A' ' 47' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.518 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.402 ' CG2' HD12 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.614 ' CE1' HD22 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.614 HD22 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.53 103.85 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.24 -55.48 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t 52.84 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.44 162.04 35.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.72 6.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 139' ' ' GLY . 42.4 t -159.8 147.24 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.5 m 63.53 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.056 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.96 121.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -173.53 169.03 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 158.72 10.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.0 142.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -166.68 158.09 12.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.33 -176.42 40.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.57 109.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -168.73 151.53 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 64.62 123.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -62.48 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.52 160.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.22 167.7 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -144.59 -62.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.23 117.92 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -161.4 154.09 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -143.7 171.51 14.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.71 138.24 51.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.88 161.01 22.85 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 156.37 -64.15 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' CB ' HG13 ' A' ' 42' ' ' VAL . . . -125.79 164.63 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' CG1' ' HA ' ' A' ' 30' ' ' GLU . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.485 ' CD1' ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' HA ' ' CG1' ' A' ' 23' ' ' VAL . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.472 ' CE1' ' HB3' ' A' ' 68' ' ' ASP . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.455 ' CB ' ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.524 ' CD1' ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 42' ' ' VAL . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.469 HG21 ' CG ' ' A' ' 37' ' ' GLU . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.524 ' CE2' ' CD1' ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.579 HD11 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.641 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.55 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 104' ' ' PHE . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.515 HD12 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' CD1' HD22 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 73' ' ' TYR . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 -105.36 35.03 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -149.04 -61.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.79 -163.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.6 80.52 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.78 130.66 30.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.411 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.417 ' HA2' ' CG2' ' A' ' 86' ' ' ILE . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.413 ' HB3' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER -64.61 157.06 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.96 -67.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.54 85.42 0.39 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 1.7 m -153.39 -75.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER 179.44 -51.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.419 ' N ' HG12 ' A' ' 85' ' ' VAL . 28.9 mt -40.07 152.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.411 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 163.15 99.06 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.18 171.62 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.411 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.443 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.443 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 105' ' ' MET . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.612 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.517 ' CD1' HD22 ' A' ' 62' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.612 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.579 ' CE1' HD11 ' A' ' 47' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.581 HG21 ' CE2' ' A' ' 124' ' ' TYR . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.492 ' O ' HD21 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.634 ' HB2' ' CB ' ' A' ' 124' ' ' TYR . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.641 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.557 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -102.48 106.98 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mt -99.54 134.28 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.3 t -164.99 115.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 124.11 151.45 8.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -132.86 -64.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.7 m -51.0 118.25 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.17 172.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.25 158.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 174.36 41.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.48 119.15 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -111.25 173.7 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 160.15 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.97 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.45 130.77 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.06 116.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 105.27 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.91 12.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 174.03 125.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -78.99 142.48 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.21 -174.56 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -64.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.55 -159.09 17.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.52 -64.91 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' A' ' 35' ' ' VAL . . . -101.3 163.97 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.48 ' CG1' ' HG ' ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.591 HD13 ' CD2' ' A' ' 74' ' ' TRP . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.405 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.427 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.481 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' N ' HD23 ' A' ' 36' ' ' LEU . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.499 ' HA ' ' O ' ' A' ' 129' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.53 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.605 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.41 ' N ' HD11 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.442 ' CG2' ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.53 HD22 ' CD2' ' A' ' 104' ' ' PHE . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.528 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 69' ' ' LYS . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 -39.26 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -93.66 -91.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 4.5 pt-20 170.55 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' GLU . 2.1 m-20 156.45 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 -100.54 138.44 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.591 ' CD2' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.463 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 156.44 39.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.4 HG11 ' N ' ' A' ' 83' ' ' GLY . 92.9 t -84.69 155.11 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.4 ' N ' HG11 ' A' ' 82' ' ' VAL . . . 48.19 51.9 19.17 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -149.38 173.6 13.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.439 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -96.64 -21.7 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.28 123.21 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.69 105.61 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -102.24 119.2 38.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.498 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.486 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.7 t60 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.53 ' CD2' HD22 ' A' ' 62' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.463 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.503 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.533 ' CG2' ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.532 ' O ' ' CD2' ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.605 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.499 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.53 ' CD2' ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.3 102.22 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 134' ' ' SER . 41.3 mm -118.93 143.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.4 ' N ' HG21 ' A' ' 133' ' ' ILE . 0.5 OUTLIER -162.58 146.12 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.2 172.25 46.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.04 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 136' ' ' PRO . 0.3 OUTLIER 161.32 -68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.6 m -40.95 145.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.11 87.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p 177.37 160.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 78.62 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -169.63 78.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p 53.59 172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.9 -178.96 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -172.04 118.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 0.803 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -173.49 -56.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ARG . 1.9 tm-20 50.2 81.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 65.9 -76.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 68.94 106.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.2 155.36 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -164.4 124.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.523 ' O ' ' C ' ' A' ' 16' ' ' THR . 0.1 OUTLIER -171.31 -171.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.4 t 27.89 68.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.45 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -54.19 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . . . 84.81 -170.73 46.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.95 -61.77 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' CB ' HG13 ' A' ' 42' ' ' VAL . . . -101.69 164.49 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.457 HG23 ' CD1' ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.596 HD13 ' CG ' ' A' ' 74' ' ' TRP . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.439 ' HA ' ' CG2' ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' CB ' HD21 ' A' ' 64' ' ' LEU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' OE1' ' CA ' ' A' ' 19' ' ' GLY . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.489 HG13 ' CB ' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.572 HD12 ' CE1' ' A' ' 108' ' ' TYR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.483 ' HA3' ' CD2' ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.574 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.589 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 ' CD2' ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' C ' ' CD1' ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' ' 65' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' GLU . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -55.77 -18.78 9.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -91.34 10.81 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.2 mt-10 40.67 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.7 t30 177.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 -115.26 154.34 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TRP . . . . . 0.596 ' CG ' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.455 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 -78.99 175.09 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.574 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -123.58 102.44 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.9 8.52 56.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.51 ' C ' ' CG1' ' A' ' 85' ' ' VAL . 1.6 m -105.63 -77.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.366 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.51 ' CG1' ' C ' ' A' ' 84' ' ' THR . 0.1 OUTLIER 173.66 -52.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 87' ' ' GLY . 58.1 mt -39.53 140.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.429 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 175.88 120.83 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.59 165.6 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . 0.511 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.495 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.587 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.455 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.572 ' CE1' HD12 ' A' ' 47' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.589 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.462 ' CG2' HD23 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.597 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.597 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.5 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . 0.6 ' CE1' HD22 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.6 HD22 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.0 125.99 30.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.07 -80.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 t 72.4 105.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 117.91 144.92 7.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.21 16.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.1 p -160.73 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 p 50.47 82.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 HD22 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CD1' ' A' ' 65' ' ' LEU . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 42' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 21' ' ' ALA . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 108' ' ' TYR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.834 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 56' ' ' THR . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 54' ' ' LYS . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 107' ' ' LEU . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.639 ' HB2' HD22 ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.834 HD21 ' HA3' ' A' ' 48' ' ' GLY . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.689 HG22 HD22 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.626 ' HA ' HG21 ' A' ' 23' ' ' VAL . 11.9 p80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 21' ' ' ALA . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 21' ' ' ALA . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' CE1' ' A' ' 108' ' ' TYR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.849 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.912 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 43' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.441 HG13 ' HE2' ' A' ' 94' ' ' MET . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 12.3 mtp180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE2' HG13 ' A' ' 75' ' ' ILE . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.912 ' CD1' HD13 ' A' ' 62' ' ' LEU . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' OE1' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.843 ' CE1' HD21 ' A' ' 47' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.704 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 112' ' ' THR . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.703 HG22 HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.639 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.764 HD23 HD13 ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.754 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 42' ' ' VAL . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.873 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.562 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.764 HD13 HD23 ' A' ' 36' ' ' LEU . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 29' ' ' LEU . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' HD2' ' A' ' 103' ' ' HIS . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 29' ' ' LEU . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.928 ' CE1' HD21 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 112' ' ' THR . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.873 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.911 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 65' ' ' LEU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.691 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' HG22 ' A' ' 42' ' ' VAL . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 21' ' ' ALA . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.556 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 108' ' ' TYR . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD12 HD23 ' A' ' 29' ' ' LEU . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 100' ' ' ALA . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 2.0 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.818 HG23 ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 62' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 128' ' ' PHE . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 112' ' ' THR . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.586 ' HE1' HD23 ' A' ' 131' ' ' LEU . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.946 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 65' ' ' LEU . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 21' ' ' ALA . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.946 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.575 HD21 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 56' ' ' THR . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD11 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 23' ' ' VAL . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.86 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.86 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.528 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.833 ' NZ ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 107' ' ' LEU . 2.4 t-80 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.889 ' CE1' HD23 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.889 HD23 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.691 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.801 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.509 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 21' ' ' ALA . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 37' ' ' GLU . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.753 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.794 HG22 HH21 ' A' ' 81' ' ' ARG . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HH12 ' A' ' 77' ' ' ARG . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 1.111 ' NH1' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.794 HH21 HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 1.111 HD13 ' NH1' ' A' ' 77' ' ' ARG . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' OE1' HD23 ' A' ' 107' ' ' LEU . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.894 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.831 ' O ' HG22 ' A' ' 112' ' ' THR . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.88 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.525 HG22 HD22 ' A' ' 65' ' ' LEU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.604 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.643 ' CG1' HG13 ' A' ' 42' ' ' VAL . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 21' ' ' ALA . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD21 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.788 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 56' ' ' THR . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 64' ' ' LEU . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.626 ' CZ2' ' NE2' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.807 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.807 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.626 ' NE2' ' CZ2' ' A' ' 74' ' ' TRP . 27.0 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CE1' ' CZ3' ' A' ' 116' ' ' TRP . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.622 ' CE1' HD21 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.848 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 49' ' ' LEU . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.788 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.954 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.651 HG22 HD22 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HA ' HG21 ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 HG13 ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.811 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.85 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' N ' ' A' ' 50' ' ' VAL . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 ' NH1' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 29' ' ' LEU . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.689 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.403 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NE ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 29' ' ' LEU . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 64' ' ' LEU . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 97' ' ' LYS . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 62' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.49 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.811 ' CG2' HD21 ' A' ' 47' ' ' LEU . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 112' ' ' THR . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.85 HD21 ' HA3' ' A' ' 48' ' ' GLY . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.939 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 65' ' ' LEU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 42' ' ' VAL . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.939 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.529 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.922 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 HG22 ' A' ' 23' ' ' VAL . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 100' ' ' ALA . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 14.4 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 97' ' ' LYS . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.836 ' O ' HD23 ' A' ' 107' ' ' LEU . 3.3 t-80 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.723 ' HB2' HD22 ' A' ' 62' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.814 ' O ' HD23 ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.916 ' O ' HG22 ' A' ' 112' ' ' THR . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.567 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.478 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.922 HD21 ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.596 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.494 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.753 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HA ' HG21 ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.768 ' CG1' HG13 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 35' ' ' VAL . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.627 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 HG22 ' A' ' 23' ' ' VAL . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.536 HG21 ' ND1' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.813 ' O ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.813 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.598 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.884 HG23 HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.876 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.876 ' CB ' ' HB3' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 112' ' ' THR . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.603 ' HE1' HD23 ' A' ' 131' ' ' LEU . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' HE1' ' A' ' 129' ' ' TYR . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG22 HD22 ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 65' ' ' LEU . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' ' 21' ' ' ALA . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.823 HD21 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.832 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 56' ' ' THR . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 108' ' ' TYR . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 29' ' ' LEU . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.649 ' OE2' ' CE1' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.696 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.856 ' O ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.823 ' CE2' HD21 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.525 ' CG2' HD13 ' A' ' 47' ' ' LEU . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.832 HD21 ' HA3' ' A' ' 48' ' ' GLY . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.833 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.427 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 65' ' ' LEU . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 23' ' ' VAL . 31.1 p80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 HG13 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.833 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.83 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' HG22 ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.476 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 36' ' ' LEU . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 29' ' ' LEU . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.532 ' HB2' ' CD2' ' A' ' 34' ' ' HIS . 44.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.822 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.606 ' HB2' HD22 ' A' ' 62' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.83 HG23 HD21 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 HD22 ' A' ' 65' ' ' LEU . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.577 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 21' ' ' ALA . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD12 ' H ' ' A' ' 37' ' ' GLU . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.748 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 ' HB2' ' A' ' 21' ' ' ALA . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.937 HD21 HG23 ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.816 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 HG22 ' A' ' 23' ' ' VAL . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.652 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 4.6 ttt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.637 HG21 ' CD2' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.436 HE21 ' C ' ' A' ' 94' ' ' MET . 2.3 tm0? -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.436 ' C ' HE21 ' A' ' 93' ' ' GLN . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.833 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.649 ' CB ' HD12 ' A' ' 64' ' ' LEU . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.833 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.604 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE1' HD13 ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.937 HG23 HD21 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.565 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.816 HD21 ' HA3' ' A' ' 48' ' ' GLY . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.842 HG22 HD12 ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB2' HD13 ' A' ' 91' ' ' LEU . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.96 HD23 HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.959 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.3 p80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 21' ' ' ALA . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' H ' ' A' ' 37' ' ' GLU . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.7 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 21' ' ' ALA . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.842 ' HA3' HD11 ' A' ' 131' ' ' LEU . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' OD1' ' A' ' 57' ' ' ASN . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' N ' HG23 ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.647 ' CG ' HD21 ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.613 HD11 ' O ' ' A' ' 100' ' ' ALA . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.472 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 2.5 p30 -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 27' ' ' SER . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.583 HD23 ' OE1' ' A' ' 110' ' ' GLU . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.583 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 112' ' ' THR . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.842 HD11 ' HA3' ' A' ' 48' ' ' GLY . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.979 HG22 HD22 ' A' ' 65' ' ' LEU . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.63 ' CG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.862 ' HA ' HG21 ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.917 HG13 HG21 ' A' ' 35' ' ' VAL . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.768 ' H ' HG12 ' A' ' 42' ' ' VAL . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.965 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.979 HD22 HG22 ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.63 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.63 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD2' HD21 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 3.4 mpp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.965 ' CB ' HD12 ' A' ' 64' ' ' LEU . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 107' ' ' LEU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.498 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.839 ' CG2' HD21 ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.549 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 49' ' ' LEU . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 48' ' ' GLY . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.9 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 34' ' ' HIS . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.675 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.8 p80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.932 HG21 HG13 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.67 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.932 HG13 HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 42' ' ' VAL . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.883 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 108' ' ' TYR . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.719 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 29' ' ' LEU . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 36' ' ' LEU . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 75' ' ' ILE . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 88.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 74' ' ' TRP . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.485 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.719 ' CB ' HD12 ' A' ' 64' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.559 ' HB2' HD22 ' A' ' 62' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.855 HG23 HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.494 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.494 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.883 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.757 HG22 HD12 ' A' ' 65' ' ' LEU . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD13 ' A' ' 91' ' ' LEU . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.962 HD21 ' CE3' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' HA ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.679 HG11 ' HB3' ' A' ' 21' ' ' ALA . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 43' ' ' PHE . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.545 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.803 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 56' ' ' THR . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 65' ' ' LEU . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 72' ' ' ARG . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.962 ' CE3' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.738 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 74' ' ' TRP . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.738 ' HD2' HG21 ' A' ' 75' ' ' ILE . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.693 ' HB2' HD12 ' A' ' 64' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 107' ' ' LEU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.706 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HD13 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 49' ' ' LEU . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.841 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.841 HD23 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.922 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 34' ' ' HIS . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.598 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.539 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG11 ' HB2' ' A' ' 21' ' ' ALA . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.735 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.854 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.494 HG21 ' ND1' ' A' ' 103' ' ' HIS . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.0 p30 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.442 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.778 ' CD2' HD21 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.576 ' HB2' HD22 ' A' ' 62' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.854 HG23 HD21 ' A' ' 47' ' ' LEU . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 127' ' ' LYS . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.679 ' O ' HG22 ' A' ' 112' ' ' THR . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.564 ' HE1' HD23 ' A' ' 131' ' ' LEU . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.564 HD23 ' HE1' ' A' ' 129' ' ' TYR . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.86 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.879 HG22 HD12 ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.467 ' HA ' HD22 ' A' ' 91' ' ' LEU . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.018 HD12 HD23 ' A' ' 65' ' ' LEU . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.86 HG11 ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.611 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD21 ' CE2' ' A' ' 108' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.894 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' LYS . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.025 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.025 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 72' ' ' ARG . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 100' ' ' ALA . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 27' ' ' SER . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.567 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' HIS . . . . . 0.506 ' CE1' HD11 ' A' ' 107' ' ' LEU . 7.7 t-160 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 64' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' HD21 ' A' ' 47' ' ' LEU . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' THR . . . . . 1.061 HG22 ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.869 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 1.061 ' O ' HG22 ' A' ' 112' ' ' THR . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.894 HD21 ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HA ' HG23 ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 37' ' ' GLU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.552 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' LYS . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.035 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.035 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 100' ' ' ALA . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 74' ' ' TRP . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.512 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 64' ' ' LEU . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 62' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.747 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 0.2 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' SER . . . . . 0.576 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.747 ' CE1' ' ND2' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.505 ' O ' HD22 ' A' ' 49' ' ' LEU . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 49' ' ' LEU . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' TYR . . . . . 0.861 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.861 HD23 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.22 152.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.053 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -175.21 170.27 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 163.59 32.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.58 167.99 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 171.35 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 164.9 37.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.98 112.47 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -170.33 124.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.68 159.67 35.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 106.52 11.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -65.78 105.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmt -127.56 84.59 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.15 80.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.61 131.51 7.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.5 p -120.72 82.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.03 105.31 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -171.99 169.6 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.48 8.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.65 -86.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -85.32 165.48 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 HD22 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CD1' ' A' ' 65' ' ' LEU . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 42' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 21' ' ' ALA . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 108' ' ' TYR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.834 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 56' ' ' THR . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 54' ' ' LYS . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' ND2' HG21 ' A' ' 82' ' ' VAL . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -108.9 44.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -114.45 -67.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -128.62 -54.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 170.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 -151.93 166.56 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 86' ' ' ILE . 4.2 mtp180 -59.25 172.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.58 HG21 ' ND2' ' A' ' 57' ' ' ASN . 47.5 t -93.94 115.84 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 84' ' ' THR . . . 52.33 77.12 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -154.5 -165.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 0.733 . . . . 0.0 110.447 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.48 -14.46 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 81' ' ' ARG . 52.6 mt -76.79 165.78 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 146.48 100.85 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 153.22 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 0.733 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 107' ' ' LEU . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.639 ' HB2' HD22 ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.446 ' O ' HD11 ' A' ' 133' ' ' ILE . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.834 HD21 ' HA3' ' A' ' 48' ' ' GLY . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.74 102.0 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 130' ' ' PRO . 3.2 mt -97.29 131.61 43.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 t -158.16 139.53 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.26 -178.36 21.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.44 35.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.38 141.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.13 161.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -150.24 -59.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.48 167.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 165.58 37.1 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -176.82 170.44 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.726 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.14 168.92 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . -179.56 161.47 27.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -166.57 161.9 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -131.39 113.31 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -176.39 155.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.35 148.25 16.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 86.97 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.4 mmm -140.75 144.15 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.98 175.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.25 80.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -93.36 -27.46 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -63.82 -72.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.14 -119.83 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.28 -128.09 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -77.19 164.25 25.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.689 HG22 HD22 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.626 ' HA ' HG21 ' A' ' 23' ' ' VAL . 11.9 p80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 21' ' ' ALA . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 21' ' ' ALA . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' CE1' ' A' ' 108' ' ' TYR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.849 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.912 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 43' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -38.36 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.18 -5.88 38.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 68.3 mt-10 59.85 78.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 70' ' ' GLU . 78.1 m-20 -165.32 -54.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -100.5 141.19 33.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.441 HG13 ' HE2' ' A' ' 94' ' ' MET . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 12.3 mtp180 -79.28 173.27 12.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.2 115.7 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.27 86.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 85' ' ' VAL . 7.2 m -134.41 -176.02 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 84' ' ' THR . 4.5 m -77.66 -32.99 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.32 158.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.22 117.18 0.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.84 168.14 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE2' HG13 ' A' ' 75' ' ' ILE . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.912 ' CD1' HD13 ' A' ' 62' ' ' LEU . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' OE1' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.843 ' CE1' HD21 ' A' ' 47' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.704 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 112' ' ' THR . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.5 mm -52.75 134.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.04 101.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.52 147.79 5.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -55.34 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.22 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -148.18 170.19 18.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.31 103.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 -143.98 1.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 179.86 136.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -170.33 168.67 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.82 -162.43 33.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 64.56 125.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.65 105.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.8 151.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.22 175.17 12.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.16 154.59 38.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.66 100.95 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -101.03 107.45 18.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 3.4 tp -174.43 124.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t -177.4 161.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.88 -65.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.59 114.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.98 -119.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.83 165.3 18.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.63 164.95 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.703 HG22 HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.639 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.764 HD23 HD13 ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.754 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 42' ' ' VAL . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.873 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.562 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.764 HD13 HD23 ' A' ' 36' ' ' LEU . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 29' ' ' LEU . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 3.0 m-20 -66.46 -50.99 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 25.7 mttt -158.85 54.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -134.56 -110.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -179.16 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 -151.31 156.35 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' HD2' ' A' ' 103' ' ' HIS . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 -121.91 1.83 9.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 59' ' ' TYR . 92.3 t 69.86 -79.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.37 -66.74 0.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.8 p -52.18 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.53 -14.77 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -43.36 155.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.16 97.74 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m -108.01 135.01 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 29' ' ' LEU . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.928 ' CE1' HD21 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 112' ' ' THR . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.873 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 94.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.9 mp -83.03 -69.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.49 170.62 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.67 -165.36 20.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.0 p 41.45 88.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.19 79.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 140.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -154.53 167.84 28.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.87 109.79 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.45 164.45 24.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.29 165.22 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 134.61 13.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.69 159.24 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m 63.23 169.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -172.4 165.71 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 75.58 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -136.7 98.57 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.6 mtp 59.11 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 139.66 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' O ' HG22 ' A' ' 16' ' ' THR . 4.1 mt -146.17 81.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 15' ' ' LEU . 14.8 t 47.32 -174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.5 106.05 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.32 125.18 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 152.93 12.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.63 -150.45 16.07 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.911 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.66 165.02 25.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 65' ' ' LEU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' HG22 ' A' ' 42' ' ' VAL . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 21' ' ' ALA . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.556 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 108' ' ' TYR . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD12 HD23 ' A' ' 29' ' ' LEU . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.41 -18.14 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.46 12.22 15.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 46.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -173.66 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 -116.03 120.79 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 100' ' ' ALA . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.641 ' HE ' HG21 ' A' ' 84' ' ' THR . 2.0 mpp_? -51.18 151.58 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.06 -63.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.89 71.58 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 85' ' ' VAL . 3.5 m -145.68 -167.31 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.686 ' H ' HG22 ' A' ' 84' ' ' THR . 20.6 m -78.69 -29.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' HA2' ' A' ' 80' ' ' GLY . 64.5 mt -66.85 140.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.36 110.23 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 166.13 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 11.7 p-10 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.818 HG23 ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 62' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 128' ' ' PHE . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 112' ' ' THR . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.586 ' HE1' HD23 ' A' ' 131' ' ' LEU . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.57 132.43 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 133' ' ' ILE . 21.6 mm -115.09 125.94 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.7 t -168.3 146.91 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.5 155.97 16.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.37 2.26 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.3 p 179.03 83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.9 p -178.79 162.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.71 -58.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -133.74 163.75 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.8 174.32 15.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 122.91 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 82.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.47 93.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -132.24 -63.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 154.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -163.65 148.77 10.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 -68.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -151.17 132.28 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.87 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.78 129.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -87.54 169.61 12.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -111.23 -32.89 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.88 54.13 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 146.93 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.3 79.52 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.03 178.58 4.31 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.946 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -126.52 161.44 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 65' ' ' LEU . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 21' ' ' ALA . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.946 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.575 HD21 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 56' ' ' THR . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD11 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 23' ' ' VAL . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 -98.39 -61.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -46.12 -60.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -103.71 -168.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -111.02 82.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 -141.11 161.93 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.86 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.86 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -61.04 165.23 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.93 -64.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -117.21 64.56 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.741 HG22 ' H ' ' A' ' 85' ' ' VAL . 7.8 m -141.88 -172.9 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.741 ' H ' HG22 ' A' ' 84' ' ' THR . 11.8 m -74.53 -33.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 87' ' ' GLY . 25.4 mt -59.27 165.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.492 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 139.8 113.84 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.2 169.54 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.528 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.833 ' NZ ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.412 ' O ' ' CG ' ' A' ' 107' ' ' LEU . 2.4 t-80 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.889 ' CE1' HD23 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.889 HD23 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 140.3 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mt -138.1 152.78 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 t -137.85 165.13 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -127.52 158.22 21.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.0 t -148.4 -57.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.89 172.02 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -167.01 171.96 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -166.19 163.35 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.11 140.02 5.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t 178.99 163.2 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -177.25 166.97 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.05 104.89 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 177.67 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -135.54 166.99 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.23 169.86 21.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.52 147.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.84 166.59 31.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.98 169.22 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 160.32 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -174.13 138.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -104.77 146.71 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -119.13 143.55 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.72 159.84 44.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.44 87.59 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.44 146.19 2.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.691 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.73 165.14 25.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.801 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' HA ' HG21 ' A' ' 23' ' ' VAL . 0.9 OUTLIER -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 21' ' ' ALA . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 37' ' ' GLU . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.753 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.794 HG22 HH21 ' A' ' 81' ' ' ARG . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HH12 ' A' ' 77' ' ' ARG . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 -36.46 -49.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -96.16 -89.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 178.16 93.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -167.05 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 -111.41 136.18 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 1.111 ' NH1' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.794 HH21 HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -77.38 158.72 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.9 149.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.15 -57.26 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.5 p -47.42 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 m -95.7 -14.08 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.1 mt -53.04 126.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.52 111.81 0.49 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.38 146.31 51.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 1.111 HD13 ' NH1' ' A' ' 77' ' ' ARG . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' OE1' HD23 ' A' ' 107' ' ' LEU . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.894 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.831 ' O ' HG22 ' A' ' 112' ' ' THR . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 107.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.17 137.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 p -174.81 89.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.31 166.32 35.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.56 5.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.85 162.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.9 t -81.76 144.4 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -173.13 159.87 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.83 164.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 -178.19 45.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.28 164.66 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -160.69 147.6 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 175.82 18.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -151.93 89.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -71.37 131.31 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -170.21 169.78 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.8 72.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.85 134.19 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mtm -145.28 90.95 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -110.13 -64.72 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.07 118.23 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -167.04 164.14 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.02 -60.59 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 155.16 12.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.64 -113.6 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.54 -178.3 31.94 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.88 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -91.56 164.41 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.525 HG22 HD22 ' A' ' 65' ' ' LEU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.604 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.643 ' CG1' HG13 ' A' ' 42' ' ' VAL . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 21' ' ' ALA . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD21 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.788 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 56' ' ' THR . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.855 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 64' ' ' LEU . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -82.52 -35.06 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -85.24 -77.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 2.1 mm-40 -79.82 -163.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -120.31 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -152.56 134.59 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.626 ' CZ2' ' NE2' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.807 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.807 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -75.3 106.21 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.16 153.05 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.41 19.55 66.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 85' ' ' VAL . 21.2 m -136.53 -128.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.425 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 84' ' ' THR . 14.6 m -131.71 -48.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 85' ' ' VAL . 83.1 mt -34.79 147.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.58 137.11 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 177.47 173.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.626 ' NE2' ' CZ2' ' A' ' 74' ' ' TRP . 27.0 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CE1' ' CZ3' ' A' ' 116' ' ' TRP . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.622 ' CE1' HD21 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.848 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 49' ' ' LEU . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.788 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.82 120.36 25.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mp -116.44 138.48 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -166.79 81.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.24 11.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.72 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.07 85.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m 58.5 162.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -168.58 170.91 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 110.057 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -140.33 -60.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 -103.93 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 153.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p 179.71 169.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 -177.81 27.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 174.64 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -168.89 171.78 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.43 168.41 19.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 158.55 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.15 143.73 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttm -159.62 153.49 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.67 91.4 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.63 113.88 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.74 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -105.19 -54.83 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.06 179.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.56 -66.83 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.0 157.93 9.54 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.954 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -76.01 165.15 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.651 HG22 HD22 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HA ' HG21 ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 HG13 ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.811 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.85 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' N ' ' A' ' 50' ' ' VAL . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.758 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 ' NH1' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 29' ' ' LEU . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.689 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -24.17 67.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.42 9.03 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 44.34 90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -167.02 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -114.62 121.03 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.403 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NE ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -78.35 174.72 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -117.89 109.72 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.25 27.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 p -117.21 -161.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.1 m -103.19 -15.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 87' ' ' GLY . 4.8 mm -52.23 169.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 148.06 124.08 1.41 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.93 157.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 0.728 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 29' ' ' LEU . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 64' ' ' LEU . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 97' ' ' LYS . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 62' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.49 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.811 ' CG2' HD21 ' A' ' 47' ' ' LEU . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 112' ' ' THR . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.85 HD21 ' HA3' ' A' ' 48' ' ' GLY . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.54 65.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 134' ' ' SER . 9.0 mt -132.17 164.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 43.7 t -147.96 92.9 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 87.89 133.84 4.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.9 30.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.32 120.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 139' ' ' GLY . 23.4 m -168.68 101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 138' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -172.84 169.32 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.756 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -152.34 165.96 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.28 -177.36 24.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -151.76 156.38 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.43 167.73 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 -147.19 11.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 82.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -110.07 150.93 27.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -175.97 117.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 176.81 176.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.78 133.34 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tpt -176.24 149.05 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 131.76 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.65 138.87 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -80.39 -36.2 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.97 161.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 127.7 45.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 179.08 16.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.61 159.19 23.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.939 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -88.1 165.43 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 65' ' ' LEU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 42' ' ' VAL . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.939 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.529 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.922 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 HG22 ' A' ' 23' ' ' VAL . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.09 -56.94 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -54.88 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.69 -151.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.69 91.56 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 -150.13 156.0 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.507 HD11 ' O ' ' A' ' 100' ' ' ALA . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 84' ' ' THR . 14.4 ttt180 -97.61 142.56 29.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -75.19 141.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 84' ' ' THR . . . 56.04 52.28 50.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 83' ' ' GLY . 2.4 p -155.26 177.48 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 m -96.45 -20.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.92 121.61 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 120.66 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m -121.76 126.57 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.032 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 97' ' ' LYS . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.836 ' O ' HD23 ' A' ' 107' ' ' LEU . 3.3 t-80 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.723 ' HB2' HD22 ' A' ' 62' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.814 ' O ' HD23 ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.916 ' O ' HG22 ' A' ' 112' ' ' THR . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.567 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.478 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.922 HD21 ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -140.71 113.1 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.3 -69.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 96.5 p 179.67 163.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.18 134.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 152.03 40.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.449 1.763 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.6 m -97.13 162.1 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.13 -60.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -164.74 163.99 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -163.93 156.01 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 159.76 33.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.41 162.12 30.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -136.0 -60.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.81 152.79 21.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.28 148.14 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -172.37 147.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -175.16 149.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.73 135.31 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -140.15 137.55 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttt -173.27 94.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.89 106.32 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.32 139.98 33.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -144.68 142.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -174.52 114.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.81 -61.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.52 -101.04 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.18 -149.01 17.39 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -109.6 165.05 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.596 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.494 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.753 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HA ' HG21 ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.768 ' CG1' HG13 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 35' ' ' VAL . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.627 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 HG22 ' A' ' 23' ' ' VAL . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 -37.91 -44.45 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -73.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 172.18 88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -134.85 -52.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -146.92 148.29 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.536 HG21 ' ND1' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 17.8 mtp180 -94.47 161.61 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -91.82 137.2 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.78 53.12 47.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -143.01 178.13 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.84 -18.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.6 mt -67.69 121.48 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.03 106.2 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m -109.76 124.76 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.813 ' O ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.813 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.598 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.884 HG23 HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.876 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.876 ' CB ' ' HB3' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 112' ' ' THR . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.603 ' HE1' HD23 ' A' ' 131' ' ' LEU . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' HE1' ' A' ' 129' ' ' TYR . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.34 127.03 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 134' ' ' SER . 2.7 mp -119.73 161.65 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -159.86 134.98 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -110.58 135.85 13.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.63 133.22 12.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -50.28 104.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.73 157.89 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 0.817 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.71 169.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 150.2 20.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -145.26 161.88 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -145.15 156.35 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 140.67 7.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -131.26 171.57 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -70.9 171.1 11.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -45.24 167.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -131.8 157.13 44.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -145.99 116.35 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.36 106.61 1.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 149.07 31.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 102.82 14.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 p -88.9 173.64 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -158.19 73.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.96 167.4 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.41 128.14 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.47 -100.44 1.99 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -76.5 165.12 25.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG22 HD22 ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 65' ' ' LEU . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.649 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 0.3 OUTLIER -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' ' 21' ' ' ALA . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.823 HD21 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.832 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 56' ' ' THR . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.728 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 108' ' ' TYR . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 29' ' ' LEU . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.649 ' OE2' ' CE1' ' A' ' 34' ' ' HIS . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -53.69 -27.36 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.1 mmmp? -102.28 16.29 26.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' LYS . 1.4 mt-10 45.96 95.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -159.02 -66.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -112.35 137.58 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.696 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HD2' HD12 ' A' ' 86' ' ' ILE . 91.8 mtt180 -75.52 177.08 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG13 ' CB ' ' A' ' 57' ' ' ASN . 1.3 m -117.0 132.95 65.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.64 6.44 89.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 p -110.31 -161.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.07 -15.13 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.531 HD12 ' HD2' ' A' ' 81' ' ' ARG . 47.4 mt -68.9 152.26 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.01 121.08 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.04 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.05 170.7 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.856 ' O ' HD23 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.823 ' CE2' HD21 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.525 ' CG2' HD13 ' A' ' 47' ' ' LEU . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.832 HD21 ' HA3' ' A' ' 48' ' ' GLY . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.39 110.46 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.12 153.51 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.53 160.8 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.72 15.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t -130.06 142.22 50.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.3 m -160.39 122.66 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.76 126.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.92 155.43 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.15 177.21 18.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -140.15 168.84 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 p 178.09 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.83 111.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.46 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.8 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 99.27 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.33 136.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.93 145.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -168.06 94.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.99 121.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.2 113.29 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.95 174.11 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 142.84 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 -171.18 14.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.58 -163.77 23.64 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.833 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -91.37 164.45 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 65' ' ' LEU . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 23' ' ' VAL . 31.1 p80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 HG13 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.833 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.83 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' HG22 ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.807 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 36' ' ' LEU . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 29' ' ' LEU . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.532 ' HB2' ' CD2' ' A' ' 34' ' ' HIS . 44.7 t0 -110.69 57.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.27 -67.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -118.41 -71.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 179.09 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -151.85 151.85 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -83.48 112.98 20.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.807 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -64.07 115.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.34 -1.88 29.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.2 p -122.36 -165.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.33 -16.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 ' HA2' ' A' ' 80' ' ' GLY . 81.7 mt -60.08 147.17 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.33 133.59 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.49 178.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.822 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.606 ' HB2' HD22 ' A' ' 62' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.83 HG23 HD21 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.9 111.23 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.87 135.58 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -165.69 139.97 4.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.62 159.62 27.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.5 m -125.05 168.36 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.3 167.28 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 67.24 146.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.45 162.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.57 177.07 25.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -163.84 159.59 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.01 144.8 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.45 146.69 13.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.71 146.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.1 p -147.15 125.13 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.1 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 158.23 43.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.03 141.74 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -175.46 150.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -160.08 149.24 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -179.11 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -76.95 -43.72 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 15' ' ' LEU . 72.7 mt 58.99 79.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.11 75.24 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.92 135.03 3.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.13 -120.07 0.97 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -78.94 165.18 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 HD22 ' A' ' 65' ' ' LEU . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.577 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 21' ' ' ALA . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD12 ' H ' ' A' ' 37' ' ' GLU . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.748 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 ' HB2' ' A' ' 21' ' ' ALA . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.937 HD21 HG23 ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.816 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 82' ' ' VAL . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 HG22 ' A' ' 23' ' ' VAL . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.652 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.09 -43.18 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -76.39 -75.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 6.3 mm-40 -78.49 -166.29 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -125.21 81.19 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 67' ' ' ASP . 4.6 ttt180 -150.01 120.1 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.637 HG21 ' CD2' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -66.16 179.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 57' ' ' ASN . 76.4 t -109.29 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.46 19.1 37.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -122.19 -179.18 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.374 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 m -86.54 -34.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.06 119.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 119.81 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.74 163.59 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.436 HE21 ' C ' ' A' ' 94' ' ' MET . 2.3 tm0? -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.436 ' C ' HE21 ' A' ' 93' ' ' GLN . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.833 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.649 ' CB ' HD12 ' A' ' 64' ' ' LEU . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.833 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.604 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE1' HD13 ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.937 HG23 HD21 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.565 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.816 HD21 ' HA3' ' A' ' 48' ' ' GLY . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.04 96.51 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.75 134.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -176.94 102.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 164.94 134.27 1.63 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.4 p -128.18 157.61 40.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 -60.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -174.6 166.91 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -177.68 169.39 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.9 -167.41 11.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.99 87.83 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -179.01 169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.68 170.3 34.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -92.31 175.88 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -143.3 169.35 17.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 51.93 75.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -122.96 134.5 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.04 92.68 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -166.09 163.72 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -94.41 -69.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.74 136.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.3 p -127.53 117.85 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 17' ' ' LEU . 12.8 mt -129.42 178.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -130.47 166.16 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.2 156.28 26.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.57 -159.17 25.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.94 165.37 25.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.842 HG22 HD12 ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB2' HD13 ' A' ' 91' ' ' LEU . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.96 HD23 HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.959 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.3 p80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 21' ' ' ALA . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' H ' ' A' ' 37' ' ' GLU . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.7 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 21' ' ' ALA . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.842 ' HA3' HD11 ' A' ' 131' ' ' LEU . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' OD1' ' A' ' 57' ' ' ASN . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' N ' HG23 ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 32.0 t0 -87.14 47.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 6.7 mttp -162.38 -54.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -117.76 -170.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -94.11 57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -118.06 151.66 37.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.647 ' CG ' HD21 ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.613 HD11 ' O ' ' A' ' 100' ' ' ALA . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.745 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.87 158.65 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.6 t -73.83 -44.94 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.41 75.69 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 2.9 m -144.69 -75.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 86' ' ' ILE . 1.1 t -173.59 -50.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.745 HG22 ' HA2' ' A' ' 80' ' ' GLY . 76.7 mt -54.0 134.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.35 102.43 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.472 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 2.5 p30 -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 27' ' ' SER . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.583 HD23 ' OE1' ' A' ' 110' ' ' GLU . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.583 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 112' ' ' THR . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.842 HD11 ' HA3' ' A' ' 48' ' ' GLY . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.95 69.51 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.69 153.47 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.73 144.37 34.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.57 -157.23 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.81 5.36 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -51.77 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.8 t -61.31 -53.49 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.0 160.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.53 169.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.32 -172.5 32.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 p -174.78 158.69 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -162.22 150.86 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.26 175.62 20.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 118.39 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 109.67 21.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.86 150.58 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -120.18 111.27 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 116.85 5.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.17 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.59 169.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 161.04 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p -64.8 151.02 46.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.49 138.94 51.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.33 67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.99 111.98 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' O ' HG11 ' A' ' 42' ' ' VAL . . . -122.6 -63.19 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -132.31 102.93 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.979 HG22 HD22 ' A' ' 65' ' ' LEU . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 ' CG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.862 ' HA ' HG21 ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.917 HG13 HG21 ' A' ' 35' ' ' VAL . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.768 ' H ' HG12 ' A' ' 42' ' ' VAL . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.965 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.979 HD22 HG22 ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.63 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -37.69 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -82.81 5.46 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 47.93 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -176.83 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -116.64 133.56 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.63 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD2' HD21 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 84' ' ' THR . 3.4 mpp_? -59.36 167.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.08 -68.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.56 64.55 0.91 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 85' ' ' VAL . 2.0 m -152.66 -168.5 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.6 ' H ' HG22 ' A' ' 84' ' ' THR . 17.6 m -91.03 -31.2 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -48.49 159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.73 122.87 1.52 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.4 167.2 26.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.965 ' CB ' HD12 ' A' ' 64' ' ' LEU . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 107' ' ' LEU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.498 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.839 ' CG2' HD21 ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.549 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 49' ' ' LEU . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.527 ' O ' HD11 ' A' ' 133' ' ' ILE . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 48' ' ' GLY . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 129.74 54.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 130' ' ' PRO . 2.8 mp -136.27 137.68 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -104.3 177.38 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.52 144.15 27.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.86 10.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 p -99.13 -59.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.88 160.67 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.38 169.9 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.17 170.46 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 153.37 -64.93 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 79.28 -62.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -179.83 174.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -122.26 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.73 165.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.89 117.67 8.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -113.27 -174.28 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -134.95 126.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.64 149.42 31.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.74 135.9 38.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -156.91 179.4 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -153.02 165.01 36.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.54 179.81 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.67 -166.21 17.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.11 -70.75 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.9 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -125.99 103.61 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 34' ' ' HIS . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.675 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.8 p80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.932 HG21 HG13 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.67 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.932 HG13 HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 42' ' ' VAL . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.883 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 108' ' ' TYR . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.719 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 29' ' ' LEU . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 36' ' ' LEU . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -92.01 53.92 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -146.18 -89.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.4 mm-40 -90.72 42.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLU . 34.9 m-80 39.21 62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 -111.3 172.9 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 75' ' ' ILE . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.469 ' HD2' HG21 ' A' ' 84' ' ' THR . 88.2 mtt180 -77.39 -173.03 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.1 t -114.91 88.17 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.22 -42.58 1.9 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.469 HG21 ' HD2' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -52.35 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.415 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.93 -30.75 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 ' HA2' ' A' ' 80' ' ' GLY . 85.4 mt -57.15 122.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.65 114.17 0.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 163.36 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 74' ' ' TRP . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.485 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 2.6 t-160 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.719 ' CB ' HD12 ' A' ' 64' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.559 ' HB2' HD22 ' A' ' 62' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.855 HG23 HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.494 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.494 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.883 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.25 86.04 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.2 mm -68.2 133.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -87.51 -59.46 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.05 149.55 18.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 79.75 2.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 51.59 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.46 171.47 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -172.37 169.71 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 175.49 44.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.26 170.76 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 167.06 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 118.5 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -116.97 163.11 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.69 165.24 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.67 153.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -77.28 162.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.55 130.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 169.56 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.53 165.37 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.3 mm? -118.71 128.67 54.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -116.45 153.98 31.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.06 153.42 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 -64.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.2 164.3 29.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.96 -143.71 8.93 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -110.23 163.29 13.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.757 HG22 HD12 ' A' ' 65' ' ' LEU . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD13 ' A' ' 91' ' ' LEU . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.962 HD21 ' CE3' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' HA ' HG23 ' A' ' 23' ' ' VAL . 0.7 OUTLIER -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.679 HG11 ' HB3' ' A' ' 21' ' ' ALA . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 43' ' ' PHE . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.545 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.803 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 56' ' ' THR . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 65' ' ' LEU . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.17 -36.37 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -91.98 31.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ASP . 5.2 pt-20 36.7 36.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -75.15 -80.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.5 165.48 20.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.962 ' CE3' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 167.27 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.27 -65.28 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 84' ' ' THR . . . -72.5 57.44 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' GLY . 1.5 p -155.68 171.26 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.8 m -95.96 -22.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mt -59.56 138.68 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.86 107.24 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -106.91 139.43 41.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 74' ' ' TRP . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.738 ' HD2' HG21 ' A' ' 75' ' ' ILE . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.693 ' HB2' HD12 ' A' ' 64' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 107' ' ' LEU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.706 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HD13 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 49' ' ' LEU . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.841 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.841 HD23 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.53 103.85 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.24 -55.48 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t 52.84 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.44 162.04 35.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.72 6.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 139' ' ' GLY . 42.4 t -159.8 147.24 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.5 m 63.53 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.056 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.96 121.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -173.53 169.03 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 158.72 10.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.0 142.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -166.68 158.09 12.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.33 -176.42 40.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.57 109.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -168.73 151.53 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 64.62 123.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -62.48 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.52 160.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.22 167.7 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -144.59 -62.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.23 117.92 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -161.4 154.09 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -143.7 171.51 14.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.71 138.24 51.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.88 161.01 22.85 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 156.37 -64.15 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.922 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -125.79 164.63 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 34' ' ' HIS . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.598 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG11 ' HB2' ' A' ' 21' ' ' ALA . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.735 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.854 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 -105.36 35.03 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -149.04 -61.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.79 -163.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.6 80.52 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.78 130.66 30.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.494 HG21 ' ND1' ' A' ' 103' ' ' HIS . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HB3' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER -64.61 157.06 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.96 -67.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.54 85.42 0.39 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 1.7 m -153.39 -75.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER 179.44 -51.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 85' ' ' VAL . 28.9 mt -40.07 152.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.15 99.06 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.18 171.62 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 8.0 p30 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.442 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.778 ' CD2' HD21 ' A' ' 107' ' ' LEU . 0.4 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.778 HD21 ' CD2' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.576 ' HB2' HD22 ' A' ' 62' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.854 HG23 HD21 ' A' ' 47' ' ' LEU . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 127' ' ' LYS . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.679 ' O ' HG22 ' A' ' 112' ' ' THR . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' HE1' HD23 ' A' ' 131' ' ' LEU . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.564 HD23 ' HE1' ' A' ' 129' ' ' TYR . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -102.48 106.98 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mt -99.54 134.28 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.3 t -164.99 115.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 124.11 151.45 8.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -132.86 -64.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.7 m -51.0 118.25 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.17 172.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.25 158.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 174.36 41.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.48 119.15 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -111.25 173.7 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 160.15 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.97 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.45 130.77 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.06 116.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 105.27 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.91 12.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 174.03 125.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -78.99 142.48 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.21 -174.56 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -64.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.55 -159.09 17.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.52 -64.91 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.86 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -101.3 163.97 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.879 HG22 HD12 ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.467 ' HA ' HD22 ' A' ' 91' ' ' LEU . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.018 HD12 HD23 ' A' ' 65' ' ' LEU . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.86 HG11 ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.611 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD21 ' CE2' ' A' ' 108' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.894 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' LYS . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.025 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.025 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 69' ' ' LYS . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 -39.26 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -93.66 -91.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 4.5 pt-20 170.55 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' GLU . 2.1 m-20 156.45 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 -100.54 138.44 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.567 HD11 ' O ' ' A' ' 100' ' ' ALA . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 156.44 39.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -84.69 155.11 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.19 51.9 19.17 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -149.38 173.6 13.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.439 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -96.64 -21.7 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.28 123.21 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.69 105.61 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -102.24 119.2 38.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 27' ' ' SER . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.567 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.506 ' CE1' HD11 ' A' ' 107' ' ' LEU . 7.7 t-160 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 64' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' HD21 ' A' ' 47' ' ' LEU . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' THR . . . . . 1.061 HG22 ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.869 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 1.061 ' O ' HG22 ' A' ' 112' ' ' THR . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.894 HD21 ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.3 102.22 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 41.3 mm -118.93 143.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.58 146.12 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.2 172.25 46.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.04 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 136' ' ' PRO . 0.3 OUTLIER 161.32 -68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.6 m -40.95 145.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.11 87.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p 177.37 160.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 78.62 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -169.63 78.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p 53.59 172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.9 -178.96 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -172.04 118.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 0.803 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -173.49 -56.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ARG . 1.9 tm-20 50.2 81.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 65.9 -76.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 68.94 106.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.2 155.36 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -164.4 124.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -171.31 -171.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.4 t 27.89 68.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.45 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -54.19 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . . . 84.81 -170.73 46.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.95 -61.77 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -101.69 164.49 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HA ' HG23 ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 37' ' ' GLU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.552 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' LYS . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.81 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.035 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.035 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' GLU . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -55.77 -18.78 9.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -91.34 10.81 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.2 mt-10 40.67 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.7 t30 177.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 -115.26 154.34 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 100' ' ' ALA . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.888 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.686 ' HD3' HG21 ' A' ' 84' ' ' THR . 70.3 mtt180 -78.99 175.09 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.81 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -123.58 102.44 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.9 8.52 56.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.747 ' C ' HG12 ' A' ' 85' ' ' VAL . 1.6 m -105.63 -77.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.366 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.747 HG12 ' C ' ' A' ' 84' ' ' THR . 0.1 OUTLIER 173.66 -52.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.888 HG22 ' HA2' ' A' ' 80' ' ' GLY . 58.1 mt -39.53 140.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.88 120.83 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.59 165.6 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 74' ' ' TRP . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.512 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 64' ' ' LEU . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 62' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.747 ' ND2' ' CE1' ' A' ' 121' ' ' PHE . 0.2 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.576 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.747 ' CE1' ' ND2' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.505 ' O ' HD22 ' A' ' 49' ' ' LEU . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 49' ' ' LEU . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' TYR . . . . . 0.861 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.861 HD23 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.0 125.99 30.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.07 -80.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 t 72.4 105.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 117.91 144.92 7.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.21 16.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.1 p -160.73 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 p 50.47 82.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 HD22 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CD1' ' A' ' 65' ' ' LEU . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 42' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 21' ' ' ALA . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 108' ' ' TYR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.834 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 56' ' ' THR . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 54' ' ' LYS . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 107' ' ' LEU . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.639 ' HB2' HD22 ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.415 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.834 HD21 ' HA3' ' A' ' 48' ' ' GLY . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.689 HG22 HD22 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.626 ' HA ' HG21 ' A' ' 23' ' ' VAL . 4.3 p-80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 21' ' ' ALA . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 21' ' ' ALA . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' CE1' ' A' ' 108' ' ' TYR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.849 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.912 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 43' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.441 HG13 ' HE2' ' A' ' 94' ' ' MET . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 12.3 mtp180 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE2' HG13 ' A' ' 75' ' ' ILE . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.912 ' CD1' HD13 ' A' ' 62' ' ' LEU . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' OE1' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.843 ' CE1' HD21 ' A' ' 47' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.704 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 112' ' ' THR . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.703 HG22 HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.639 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.764 HD23 HD13 ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.754 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 42' ' ' VAL . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.873 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.562 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.764 HD13 HD23 ' A' ' 36' ' ' LEU . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 29' ' ' LEU . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' HD2' ' A' ' 103' ' ' HIS . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 29' ' ' LEU . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.928 ' CE1' HD21 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 112' ' ' THR . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.873 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.911 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 65' ' ' LEU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.691 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' HG22 ' A' ' 42' ' ' VAL . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 21' ' ' ALA . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.556 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 108' ' ' TYR . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.601 HD12 HD23 ' A' ' 29' ' ' LEU . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 100' ' ' ALA . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 2.0 mpp_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.818 HG23 ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 62' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.471 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 128' ' ' PHE . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 112' ' ' THR . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.586 ' HE1' HD23 ' A' ' 131' ' ' LEU . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.946 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 65' ' ' LEU . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.43 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 21' ' ' ALA . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.946 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.575 HD21 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 56' ' ' THR . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.833 HD11 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 23' ' ' VAL . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.501 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.86 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.86 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.528 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.833 ' NZ ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.768 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.3 t60 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.889 ' CE1' HD23 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.889 HD23 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.691 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.801 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.509 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.7 p-80 -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 21' ' ' ALA . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 37' ' ' GLU . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.753 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.794 HG22 HH21 ' A' ' 81' ' ' ARG . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HH12 ' A' ' 77' ' ' ARG . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 1.111 ' NH1' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.794 HH21 HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 1.111 HD13 ' NH1' ' A' ' 77' ' ' ARG . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' OE1' HD23 ' A' ' 107' ' ' LEU . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.894 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.831 ' O ' HG22 ' A' ' 112' ' ' THR . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.88 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.525 HG22 HD22 ' A' ' 65' ' ' LEU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.604 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.814 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.643 ' CG1' HG13 ' A' ' 42' ' ' VAL . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 21' ' ' ALA . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.622 HD21 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.788 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 56' ' ' THR . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 64' ' ' LEU . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.477 ' CZ2' ' OE1' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.807 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.807 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.477 ' OE1' ' CZ2' ' A' ' 74' ' ' TRP . 19.1 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.609 ' HD2' HG21 ' A' ' 75' ' ' ILE . 31.5 t60 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CE1' ' CZ3' ' A' ' 116' ' ' TRP . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.622 ' CE1' HD21 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.848 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 49' ' ' LEU . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.788 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.954 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.651 HG22 HD22 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HA ' HG21 ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 HG13 ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.811 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.85 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' N ' ' A' ' 50' ' ' VAL . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.404 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 ' NH1' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 29' ' ' LEU . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.689 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.313 -0.254 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.403 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NE ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.987 -0.375 . . . . 0.0 109.987 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 29' ' ' LEU . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.403 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 64' ' ' LEU . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 97' ' ' LYS . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 62' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.49 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.811 ' CG2' HD21 ' A' ' 47' ' ' LEU . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 112' ' ' THR . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.85 HD21 ' HA3' ' A' ' 48' ' ' GLY . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.939 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 65' ' ' LEU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 42' ' ' VAL . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.939 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.529 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.922 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 HG22 ' A' ' 23' ' ' VAL . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 103' ' ' HIS . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 14.4 ttt180 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 97' ' ' LYS . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.836 ' O ' HD23 ' A' ' 107' ' ' LEU . 18.9 t60 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.723 ' HB2' HD22 ' A' ' 62' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.814 ' O ' HD23 ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.916 ' O ' HG22 ' A' ' 112' ' ' THR . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.567 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.478 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.922 HD21 ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.596 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.494 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.753 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.55 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HA ' HG21 ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.768 ' CG1' HG13 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.569 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 35' ' ' VAL . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.627 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 HG22 ' A' ' 23' ' ' VAL . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.29 -0.263 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 17.8 mtp180 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.824 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.824 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.598 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.884 HG23 HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.876 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.876 ' CB ' ' HB3' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 112' ' ' THR . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.603 ' HE1' HD23 ' A' ' 131' ' ' LEU . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' HE1' ' A' ' 129' ' ' TYR . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.678 HG22 HD22 ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 65' ' ' LEU . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 1.4 p-80 -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' ' 21' ' ' ALA . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.823 HD21 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.832 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 56' ' ' THR . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 108' ' ' TYR . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 29' ' ' LEU . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.547 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 4.1 t0 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.696 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.469 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.856 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.823 ' CE2' HD21 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.525 ' CG2' HD13 ' A' ' 47' ' ' LEU . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.832 HD21 ' HA3' ' A' ' 48' ' ' GLY . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.833 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.427 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 65' ' ' LEU . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 23' ' ' VAL . 17.7 p-80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 HG13 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.515 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.833 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.83 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' HG22 ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.476 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 36' ' ' LEU . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 29' ' ' LEU . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 44.7 t0 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.355 0 N-CA-C 110.337 -0.245 . . . . 0.0 110.337 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.822 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.606 ' HB2' HD22 ' A' ' 62' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.83 HG23 HD21 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 HD22 ' A' ' 65' ' ' LEU . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.577 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 21' ' ' ALA . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.748 HD12 ' H ' ' A' ' 37' ' ' GLU . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.748 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 ' HB2' ' A' ' 21' ' ' ALA . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.937 HD21 HG23 ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.816 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.442 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.649 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 HG22 ' A' ' 23' ' ' VAL . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.652 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 72' ' ' ARG . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' NE2' ' A' ' 93' ' ' GLN . 4.6 ttt180 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.637 HG21 ' CD2' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.469 ' NE2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.427 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.833 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.649 ' CB ' HD12 ' A' ' 64' ' ' LEU . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.833 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.604 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE1' HD13 ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.937 HG23 HD21 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.565 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.816 HD21 ' HA3' ' A' ' 48' ' ' GLY . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.842 HG22 HD12 ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB2' HD13 ' A' ' 91' ' ' LEU . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.96 HD23 HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.959 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.9 p-80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 21' ' ' ALA . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' H ' ' A' ' 37' ' ' GLU . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.7 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 21' ' ' ALA . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.84 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.842 ' HA3' HD11 ' A' ' 131' ' ' LEU . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' OD1' ' A' ' 57' ' ' ASN . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.549 ' N ' HG23 ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.0 t0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.647 ' CG ' HD21 ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.613 HD11 ' O ' ' A' ' 100' ' ' ALA . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.528 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.472 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 27' ' ' SER . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.594 ' HD2' HG21 ' A' ' 75' ' ' ILE . 7.7 t60 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.583 HD23 ' OE1' ' A' ' 110' ' ' GLU . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.583 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 112' ' ' THR . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.842 HD11 ' HA3' ' A' ' 48' ' ' GLY . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.979 HG22 HD22 ' A' ' 65' ' ' LEU . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.63 ' CG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.862 ' HA ' HG21 ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.601 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.917 HG13 HG21 ' A' ' 35' ' ' VAL . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.768 ' H ' HG12 ' A' ' 42' ' ' VAL . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' OG ' ' A' ' 44' ' ' SER . 11.1 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.965 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.979 HD22 HG22 ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.63 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.289 -0.263 . . . . 0.0 110.289 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.63 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD2' HD21 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 3.4 mpp_? . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.47 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.965 ' CB ' HD12 ' A' ' 64' ' ' LEU . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 107' ' ' LEU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.498 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.839 ' CG2' HD21 ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.549 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 49' ' ' LEU . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.411 ' HD2' ' HB2' ' A' ' 129' ' ' TYR . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 48' ' ' GLY . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.9 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 34' ' ' HIS . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.675 ' HA ' HG21 ' A' ' 23' ' ' VAL . 23.0 p-80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.932 HG21 HG13 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.67 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.932 HG13 HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 42' ' ' VAL . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.883 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 108' ' ' TYR . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.719 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 29' ' ' LEU . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 36' ' ' LEU . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 . . . . . 0 N--CA 1.452 -0.358 0 N-CA-C 110.298 -0.26 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 75' ' ' ILE . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 88.2 mtt180 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 74' ' ' TRP . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.485 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.41 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.2 t60 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.719 ' CB ' HD12 ' A' ' 64' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.559 ' HB2' HD22 ' A' ' 62' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.415 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.855 HG23 HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.494 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.494 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.883 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.757 HG22 HD12 ' A' ' 65' ' ' LEU . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD13 ' A' ' 91' ' ' LEU . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.962 HD21 ' CE3' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.518 ' HA ' HG23 ' A' ' 23' ' ' VAL . 1.6 p-80 -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.679 HG11 ' HB3' ' A' ' 21' ' ' ALA . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 43' ' ' PHE . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.545 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.803 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 56' ' ' THR . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 65' ' ' LEU . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' OD2' ' N ' ' A' ' 72' ' ' ARG . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.426 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.962 ' CE3' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.738 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 74' ' ' TRP . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.738 ' HD2' HG21 ' A' ' 75' ' ' ILE . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.693 ' HB2' HD12 ' A' ' 64' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 107' ' ' LEU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.706 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HD13 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 49' ' ' LEU . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.841 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.841 HD23 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.922 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 34' ' ' HIS . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.598 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.539 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.922 HG11 ' HB2' ' A' ' 21' ' ' ALA . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.735 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.854 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 ' CD2' ' A' ' 103' ' ' HIS . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.3 p-10 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.442 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.828 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.828 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.576 ' HB2' HD22 ' A' ' 62' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.854 HG23 HD21 ' A' ' 47' ' ' LEU . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 127' ' ' LYS . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.679 ' O ' HG22 ' A' ' 112' ' ' THR . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.564 ' HE1' HD23 ' A' ' 131' ' ' LEU . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.564 HD23 ' HE1' ' A' ' 129' ' ' TYR . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.86 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.879 HG22 HD12 ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.467 ' HA ' HD22 ' A' ' 91' ' ' LEU . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.58 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.018 HD12 HD23 ' A' ' 65' ' ' LEU . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.86 HG11 ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.611 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.644 HD21 ' CE2' ' A' ' 108' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.894 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' LYS . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.458 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.025 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.025 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 72' ' ' ARG . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 . . . . . 0 N--CA 1.452 -0.33 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' CD2' ' A' ' 103' ' ' HIS . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 27' ' ' SER . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.567 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . 0.579 ' CD2' HG21 ' A' ' 75' ' ' ILE . 13.7 t60 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 64' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' HD21 ' A' ' 47' ' ' LEU . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 1.061 HG22 ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.869 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 1.061 ' O ' HG22 ' A' ' 112' ' ' THR . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.894 HD21 ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HA ' HG23 ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 37' ' ' GLU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.552 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' LYS . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.419 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.035 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.035 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 100' ' ' ALA . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.592 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 70.3 mtt180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 74' ' ' TRP . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.512 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 64' ' ' LEU . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 62' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.597 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' SER . . . . . 0.576 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.597 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.505 ' O ' HD22 ' A' ' 49' ' ' LEU . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 49' ' ' LEU . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' TYR . . . . . 0.861 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.861 HD23 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 178.22 152.64 0.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.757 . . . . 0.0 110.053 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -175.21 170.27 3.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.28 163.59 32.33 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -176.58 167.99 2.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 0.742 . . . . 0.0 109.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.94 171.35 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.43 164.9 37.84 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.138 . . . . 0.0 111.045 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -159.98 112.47 2.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.56 0.8 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.5 p -170.33 124.06 0.71 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -158.68 159.67 35.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 110.313 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.64 106.52 11.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -65.78 105.95 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 1.1 mmt -127.56 84.59 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.7 mttt 62.15 80.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.61 131.51 7.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 60.5 p -120.72 82.89 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.1 . . . . 0.0 110.443 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -88.03 105.31 17.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -171.99 169.6 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -141.03 -160.48 8.31 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -162.65 -86.07 0.06 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.816 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -85.32 165.48 17.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 109.29 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -90.07 145.26 25.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 HD22 ' A' ' 65' ' ' LEU . 27.1 t -96.81 156.28 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.263 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.76 140.31 63.12 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 109.256 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -20.38 16.91 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.458 1.767 . . . . 0.0 110.987 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -72.78 -19.82 61.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 p -79.1 -29.21 43.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.973 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.13 13.32 82.83 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.676 HD12 ' CD1' ' A' ' 65' ' ' LEU . 6.5 mt -115.46 9.37 15.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 0.733 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -74.65 -19.2 60.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.315 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.41 10.65 14.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.577 1.173 . . . . 0.0 109.601 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.82 -54.83 0.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.02 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.591 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.41 -179.86 4.07 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.7 p-80 -148.85 159.67 43.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.574 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.554 HG11 HG13 ' A' ' 42' ' ' VAL . 60.6 t -51.84 132.81 13.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.566 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -75.28 113.69 12.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.9 OUTLIER -102.6 135.83 43.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 110.286 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.6 OUTLIER -144.83 149.82 36.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.289 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.75 48.41 6.08 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.473 1.108 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.42 31.72 36.32 Favored Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -125.07 173.05 8.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 0.748 . . . . 0.0 109.298 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.816 HG11 ' HB2' ' A' ' 21' ' ' ALA . 53.5 t -122.43 140.21 46.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.7 m-85 -90.78 50.25 1.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.536 1.147 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -128.03 101.4 6.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.71 140.84 50.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 92.0 m -119.78 105.51 11.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.511 HD21 ' CE2' ' A' ' 108' ' ' TYR . 26.6 mt -98.49 161.12 13.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.834 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.61 138.61 6.14 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.495 1.122 . . . . 0.0 111.034 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.53 135.92 27.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 p -145.35 123.89 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 109.275 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -76.77 148.05 36.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.153 . . . . 0.0 109.338 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.1 tp -90.82 -33.62 5.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.279 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -80.27 -60.5 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 56' ' ' THR . 4.8 mmpt? -63.53 -13.52 42.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.55 18.83 11.27 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 54' ' ' LYS . 5.8 p -94.04 132.41 38.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 110.355 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.58 ' ND2' HG21 ' A' ' 82' ' ' VAL . 44.4 t-20 -109.47 128.15 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 49' ' ' LEU . 59.6 m -122.53 162.6 21.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.44 1.088 . . . . 0.0 109.976 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.2 p90 -151.44 120.07 6.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.497 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 32.7 t80 -110.08 130.67 55.5 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 111.036 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.52 137.28 54.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.153 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.639 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.2 tp -128.2 133.69 48.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -150.8 121.27 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.559 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -96.64 102.43 14.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.676 ' CD1' HD12 ' A' ' 29' ' ' LEU . 2.7 mt -86.35 144.84 27.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.582 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 13.8 pt-20 -120.85 129.76 53.66 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -68.87 129.07 38.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 54.0 t0 -108.9 44.69 1.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.26 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -114.45 -67.54 0.99 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.314 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -128.62 -54.48 1.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.1 p-10 170.62 86.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.465 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.9 mtt180 -151.93 166.56 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.582 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 90.6 m-85 -153.34 156.73 38.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 22.9 m-90 -128.2 166.0 19.37 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.466 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.8 mm -127.44 102.83 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.327 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -91.09 135.37 33.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 111.031 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.457 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.4 OUTLIER -142.63 114.91 8.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.515 1.134 . . . . 0.0 110.287 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.6 p -108.83 142.53 39.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.999 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -155.54 166.07 34.64 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.129 . . . . 0.0 107.994 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.59 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 135.34 159.67 8.7 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.71 ' HB2' HD12 ' A' ' 86' ' ' ILE . 4.2 mtp180 -59.25 172.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 0.759 . . . . 0.0 110.336 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.58 HG21 ' ND2' ' A' ' 57' ' ' ASN . 47.5 t -93.94 115.84 33.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 84' ' ' THR . . . 52.33 77.12 0.15 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.491 1.119 . . . . 0.0 110.994 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.511 HG23 ' O ' ' A' ' 83' ' ' GLY . 1.0 OUTLIER -154.5 -165.75 2.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 0.733 . . . . 0.0 110.447 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.1 t -78.48 -14.46 13.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.473 1.108 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.71 HD12 ' HB2' ' A' ' 81' ' ' ARG . 52.6 mt -76.79 165.78 2.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 146.48 100.85 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.096 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.92 153.22 42.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.447 0.733 . . . . 0.0 110.033 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -136.18 162.42 32.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.29 135.69 49.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.5 tp -135.37 116.95 14.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.455 1.097 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -137.31 142.22 41.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 110.289 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -85.16 137.17 33.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.276 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.411 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.76 151.75 38.05 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.464 1.771 . . . . 0.0 110.953 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.476 ' CB ' ' OD2' ' A' ' 99' ' ' ASP . 0.3 OUTLIER -123.91 148.81 46.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 109.978 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 18.4 tttt -46.0 -44.97 15.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.7 mt-10 -58.55 -56.39 22.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.476 ' OD2' ' CB ' ' A' ' 96' ' ' SER . 22.5 m-20 -46.37 -28.06 1.23 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.79 -40.84 24.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' N ' ' O ' ' A' ' 98' ' ' GLU . 5.8 mt -68.68 -51.59 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -48.94 -52.4 24.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.368 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.466 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.7 t60 -59.83 -48.83 80.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.611 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 72.1 t80 -62.36 -27.99 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.441 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.4 OUTLIER -83.57 -35.65 24.56 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 110.944 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.5 -43.3 27.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.291 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.504 HD23 ' HA ' ' A' ' 107' ' ' LEU . 10.2 mt -52.16 -58.36 6.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.639 ' HB2' HD22 ' A' ' 62' ' ' LEU . 56.2 t80 -63.46 -10.23 16.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 111.045 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.423 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 35.0 tt0 -93.46 -20.18 20.55 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.454 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -82.27 -43.74 17.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.497 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -64.46 -64.63 0.83 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 21.0 p -67.8 -35.19 78.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.402 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.423 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.49 -21.79 43.66 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.09 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -99.28 149.33 23.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 0.735 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.644 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -61.17 147.9 42.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.437 1.086 . . . . 0.0 109.283 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -56.77 -57.83 10.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.5 1.125 . . . . 0.0 108.037 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -88.96 67.77 8.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 109.636 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 22.3 t -133.22 156.45 47.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.984 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -102.56 155.59 18.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.73 128.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -119.3 122.04 40.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 111.006 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 18.1 m -102.2 116.59 32.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.389 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 93.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -85.85 167.81 22.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.479 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -74.99 122.59 7.31 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.791 . . . . 0.0 111.017 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.645 ' O ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER 86.36 -41.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 109.302 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.1 mmtm -45.22 135.24 5.9 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 96.9 m-85 -82.89 150.93 26.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.432 ' CE1' HD23 ' A' ' 131' ' ' LEU . 17.4 p90 -124.07 164.84 27.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.446 ' O ' HD11 ' A' ' 133' ' ' ILE . 18.2 Cg_endo -74.98 122.5 7.25 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.435 1.755 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.834 HD21 ' HA3' ' A' ' 48' ' ' GLY . 74.9 mt -72.43 -81.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -76.74 102.0 6.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.446 HD11 ' O ' ' A' ' 130' ' ' PRO . 3.2 mt -97.29 131.61 43.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 4.8 t -158.16 139.53 13.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 108.26 -178.36 21.23 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.485 1.116 . . . . 0.0 111.0 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 163.44 35.42 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.468 1.773 . . . . 0.0 110.994 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.38 141.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 110.009 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 58.13 161.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 110.007 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.041 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -150.24 -59.0 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 0.792 . . . . 0.0 109.986 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 57.48 167.9 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.952 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.43 165.58 37.1 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.4 p -176.82 170.44 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.433 0.726 . . . . 0.0 110.048 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -165.14 168.92 16.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.002 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.42 ' O ' ' CE ' ' A' ' 8' ' ' LYS . . . -179.56 161.47 27.45 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.459 1.099 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' CE ' ' O ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -166.57 161.9 16.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 0.788 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 93.0 p -131.39 113.31 13.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 110.011 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -176.39 155.3 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.35 148.25 16.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.74 86.97 1.21 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 97.4 mmm -140.75 144.15 35.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -58.98 175.61 0.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.4 mt -70.25 80.39 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.2 t -93.36 -27.46 16.75 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 110.412 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 17' ' ' LEU . 0.6 OUTLIER -63.82 -72.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.274 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -43.91 -72.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.14 -119.83 5.14 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.456 1.097 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -79.28 -128.09 0.59 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.927 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -77.19 164.25 25.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 0.733 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.85 144.71 26.88 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.689 HG22 HD22 ' A' ' 65' ' ' LEU . 46.6 t -94.58 154.34 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.63 144.56 61.06 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -20.19 16.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -72.93 -17.2 61.52 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.298 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 12.9 p -80.28 -30.38 38.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.975 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.77 6.1 84.69 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.493 1.12 . . . . 0.0 111.055 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 65' ' ' LEU . 17.6 mt -106.78 -3.26 20.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -58.39 -18.12 25.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 110.312 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.3 p80 -119.62 12.42 12.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.32 -60.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.979 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.662 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.21 176.83 5.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.626 ' HA ' HG21 ' A' ' 23' ' ' VAL . 4.3 p-80 -144.55 163.45 33.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.553 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.635 HG11 ' HB3' ' A' ' 21' ' ' ALA . 78.4 t -52.98 135.93 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.592 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.7 tm? -78.83 126.91 31.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.592 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.4 mt-10 -113.59 142.72 45.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 41' ' ' LYS . 6.8 tttt -150.58 146.82 26.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.112 . . . . 0.0 109.33 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.94 42.15 6.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 110.978 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.19 32.66 72.22 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.6 mmmt -128.11 159.99 33.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 0.739 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.927 HG11 ' HB2' ' A' ' 21' ' ' ALA . 46.4 t -109.71 139.98 30.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 109.308 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.771 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.1 m-85 -88.58 49.49 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.5 t -132.2 97.21 4.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.541 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -116.7 138.99 51.05 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 ' OG1' ' HD3' ' A' ' 61' ' ' LYS . 53.0 m -112.76 119.41 37.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.387 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.843 HD21 ' CE1' ' A' ' 108' ' ' TYR . 35.4 mt -109.33 166.68 10.69 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.849 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.95 127.64 2.13 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.485 1.116 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 1.2 tm? -128.06 142.1 51.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 81.7 t -136.85 127.42 40.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.161 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' THR . 0.4 OUTLIER -86.79 117.63 25.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -82.32 -32.54 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.6 m -77.3 -53.89 13.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.26 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 12.9 mmtt -74.47 -11.96 60.37 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.6 39.54 91.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 51' ' ' ASP . 3.9 p -118.85 157.54 27.42 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 0.741 . . . . 0.0 110.39 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.412 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.9 m-20 -117.37 135.81 53.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' LEU . 36.6 m -135.35 155.4 50.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.04 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.466 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.1 p90 -151.51 130.15 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.579 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.7 t80 -114.03 156.41 24.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.15 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.432 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 0.4 OUTLIER -142.14 130.22 22.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.912 HD13 ' CD1' ' A' ' 104' ' ' PHE . 0.2 OUTLIER -108.61 142.17 39.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.501 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 31.6 mt-30 -162.22 123.15 2.59 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD13 ' CD2' ' A' ' 43' ' ' PHE . 3.1 tt -109.75 99.02 8.24 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.753 HD12 HD12 ' A' ' 29' ' ' LEU . 20.5 mt -78.19 136.78 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.265 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 11.2 tt0 -123.16 139.46 54.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.3 t70 -61.36 136.64 58.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.254 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.94 -38.36 75.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -72.18 -5.88 38.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.404 ' O ' ' CG ' ' A' ' 71' ' ' ASN . 68.3 mt-10 59.85 78.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' CG ' ' O ' ' A' ' 70' ' ' GLU . 78.1 m-20 -165.32 -54.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.307 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.496 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.6 OUTLIER -100.5 141.19 33.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.555 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 24.4 m-85 -134.86 165.36 25.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 111.039 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.421 ' NE1' ' HB2' ' A' ' 93' ' ' GLN . 18.1 m-90 -136.72 161.14 36.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 1.145 . . . . 0.0 108.042 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.441 HG13 ' HE2' ' A' ' 94' ' ' MET . 2.9 mm -120.24 103.53 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.288 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -91.27 137.89 32.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.955 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -148.53 115.65 6.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -109.68 144.1 38.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.161 . . . . 0.0 109.954 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 19.3 p90 -152.45 177.87 10.16 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.999 -1.111 . . . . 0.0 107.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 135.55 178.11 15.47 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.106 . . . . 0.0 111.013 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 12.3 mtp180 -79.28 173.27 12.75 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 0.766 . . . . 0.0 110.324 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 41.9 t -100.2 115.7 42.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.543 1.152 . . . . 0.0 109.304 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.27 48.27 86.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.529 1.143 . . . . 0.0 110.995 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.676 HG22 ' H ' ' A' ' 85' ' ' VAL . 7.2 m -134.41 -176.02 4.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.776 . . . . 0.0 110.358 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.676 ' H ' HG22 ' A' ' 84' ' ' THR . 4.5 m -77.66 -32.99 18.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 71.1 mt -60.32 158.97 2.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 148.22 117.18 0.92 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.483 1.114 . . . . 0.0 111.037 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -145.84 168.14 21.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 0.778 . . . . 0.0 110.013 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -139.24 179.27 6.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.46 127.14 9.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.299 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.9 tp -125.55 108.85 12.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -121.0 136.64 54.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 110.279 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.421 ' HB2' ' NE1' ' A' ' 74' ' ' TRP . 1.2 tm0? -84.99 123.29 30.37 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.441 ' HE2' HG13 ' A' ' 75' ' ' ILE . 43.7 mmm -84.72 153.21 60.87 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -56.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 48.8 m -119.58 157.12 29.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.125 . . . . 0.0 109.994 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -54.61 -47.24 73.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -59.1 -55.54 33.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.294 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -49.88 -25.37 3.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.32 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -80.92 -42.43 21.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.533 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.3 mt -65.16 -51.91 59.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 0.0 109.257 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -49.52 -46.46 48.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 110.246 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -63.43 -42.39 98.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.581 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.912 ' CD1' HD13 ' A' ' 62' ' ' LEU . 73.4 t80 -68.64 -32.24 71.96 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.424 1.078 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.407 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.4 mtm -75.49 -35.9 60.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.975 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -81.02 -42.99 20.25 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' OE1' ' A' ' 110' ' ' GLU . 11.0 mt -49.02 -57.53 6.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.843 ' CE1' HD21 ' A' ' 47' ' ' LEU . 75.3 t80 -62.58 -11.86 19.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.457 1.098 . . . . 0.0 111.032 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.46 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 38.0 tt0 -97.34 -26.21 14.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.704 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.4 pt-20 -69.65 -28.4 65.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.579 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 20.8 mmtt -86.65 -64.67 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.284 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.878 HG22 ' O ' ' A' ' 128' ' ' PHE . 32.6 p -63.73 -38.56 91.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.108 . . . . 0.0 110.425 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.46 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.08 -19.32 52.32 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 110.991 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -99.73 154.42 18.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 109.265 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.492 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -68.6 137.5 54.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.581 ' CZ3' ' CZ ' ' A' ' 104' ' ' PHE . 2.2 t-105 -42.27 -35.21 0.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -131.33 91.86 3.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.578 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.492 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -154.71 69.28 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.961 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 119' ' ' LYS . 0.1 OUTLIER 51.6 -177.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -41.58 155.36 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.413 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 27.3 t80 -96.98 138.45 34.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.976 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.3 m -101.64 113.33 26.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.376 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.71 93.46 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -88.55 163.78 34.67 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 110.953 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 125.39 9.29 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.516 1.798 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp 78.4 -1.08 2.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.323 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.8 mmtt -88.01 131.25 34.71 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 112' ' ' THR . 52.8 m-85 -68.6 122.34 18.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.9 p90 -108.47 163.45 16.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 119.92 5.85 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.554 1.818 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 60.5 mt -68.12 -76.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.58 90.44 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.335 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.5 mm -52.75 134.38 14.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.247 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.04 101.38 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 109.994 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 169.52 147.79 5.6 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.76 2.05 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.84 -55.34 2.83 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.932 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.22 -60.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 109.992 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 179.957 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.2 p -148.18 170.19 18.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 0.736 . . . . 0.0 109.991 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.31 103.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.995 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.88 -143.98 1.67 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.548 1.155 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.0 t 179.86 136.32 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.991 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p -170.33 168.67 7.95 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 0.0 109.957 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.82 -162.43 33.03 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ttpp 64.56 125.42 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 109.276 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 168.65 105.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.123 . . . . 0.0 109.988 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.8 151.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.277 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.22 175.17 12.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.16 154.59 38.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.293 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -152.66 100.95 2.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 111.043 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -101.03 107.45 18.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.326 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' O ' ' HB ' ' A' ' 16' ' ' THR . 3.4 tp -174.43 124.01 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.413 ' HB ' ' O ' ' A' ' 15' ' ' LEU . 2.9 t -177.4 161.47 1.77 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 72.88 -65.75 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.59 114.95 0.46 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -59.98 -119.43 0.01 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.572 1.17 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 161.83 165.3 18.47 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.63 164.95 25.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.89 146.32 49.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.703 HG22 HD22 ' A' ' 65' ' ' LEU . 57.4 t -107.6 161.25 6.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -82.38 140.8 45.29 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -19.54 17.73 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.442 1.759 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 -77.17 -15.93 59.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -81.44 -29.43 33.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 0.0 109.995 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 73.82 6.87 73.84 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.511 1.132 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -108.22 7.67 27.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -76.05 -11.66 59.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 110.339 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.438 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -119.34 11.63 12.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.573 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.72 -55.24 0.61 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.995 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.88 179.41 4.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.639 ' HA ' HG21 ' A' ' 23' ' ' VAL . 2.1 p-80 -152.78 160.01 43.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 1.143 . . . . 0.0 109.627 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.542 HG11 ' HB3' ' A' ' 21' ' ' ALA . 90.1 t -51.82 132.72 13.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.764 HD23 HD13 ' A' ' 64' ' ' LEU . 34.7 tp -68.49 156.64 37.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.754 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.6 mt-10 -141.56 134.25 28.56 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 110.309 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 52.0 tttm -149.92 150.8 32.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.105 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.33 48.95 6.86 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.452 1.095 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.55 41.51 42.02 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -134.39 170.74 15.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 0.772 . . . . 0.0 109.278 -179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.832 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.2 t -122.53 134.24 66.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.426 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -82.73 56.58 3.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB3' HG12 ' A' ' 42' ' ' VAL . 5.7 t -136.37 97.22 3.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.445 1.091 . . . . 0.0 110.018 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.87 137.74 54.42 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.6 m -111.83 99.32 8.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.397 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.928 HD21 ' CE1' ' A' ' 108' ' ' TYR . 81.6 mt -87.43 163.17 16.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.873 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.39 121.84 1.13 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 0.0 110.961 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.0 tm? -127.27 140.39 52.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.778 . . . . 0.0 109.314 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.562 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -139.4 132.81 37.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.135 . . . . 0.0 109.343 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.74 139.39 32.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -95.81 -30.84 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.322 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -77.43 -54.8 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' VAL . 1.3 mmpt? -79.71 -10.46 59.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.56 33.63 48.25 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -111.4 117.07 32.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 0.793 . . . . 0.0 110.445 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.531 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.9 m-20 -76.27 160.96 29.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.536 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.5 m -154.92 144.18 21.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.439 1.087 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.612 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 9.9 p90 -135.72 118.73 16.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 111.001 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.549 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 34.0 t80 -113.06 122.9 48.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.04 135.73 50.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.567 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.8 tp -123.87 130.19 52.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 44.3 mt-30 -151.62 120.0 6.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.462 1.101 . . . . 0.0 110.306 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.764 HD13 HD23 ' A' ' 36' ' ' LEU . 4.2 tt -96.26 97.71 9.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.93 HD12 HD12 ' A' ' 29' ' ' LEU . 10.3 mt -79.65 131.74 36.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 109.296 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.7 pt-20 -118.59 158.44 25.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -61.55 145.38 52.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 3.0 m-20 -66.46 -50.99 61.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 109.311 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.406 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 25.7 mttt -158.85 54.86 0.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -134.56 -110.14 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.153 . . . . 0.0 110.253 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.9 t30 -179.16 59.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 4.7 mtt180 -151.31 156.35 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 53.2 m-85 -145.45 164.92 30.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.413 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 28.9 m-90 -140.33 157.24 45.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 107.973 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.539 HG21 ' HD2' ' A' ' 103' ' ' HIS . 4.2 mm -121.04 100.8 9.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 67.2 t80 -91.6 139.37 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.453 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 7.5 mtt180 -143.76 136.36 27.14 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 110.284 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -123.24 156.32 35.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.008 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 14.3 p90 -169.99 137.5 1.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -157.35 -153.06 6.54 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.454 1.096 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 1.6 mmt180 -121.91 1.83 9.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 0.743 . . . . 0.0 110.28 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 59' ' ' TYR . 92.3 t 69.86 -79.7 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.135 . . . . 0.0 109.313 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -41.37 -66.74 0.89 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.545 1.153 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 18.8 p -52.18 -179.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 0.736 . . . . 0.0 110.397 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.4 m -102.53 -14.77 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 22.6 mt -43.36 155.09 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -164.16 97.74 0.15 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 47.9 m -108.01 135.01 50.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 0.748 . . . . 0.0 110.001 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -136.66 160.43 38.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.43 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 12.9 ttpt -129.35 145.41 51.39 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.585 HD11 HD11 ' A' ' 29' ' ' LEU . 20.9 tp -138.37 114.0 9.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 109.29 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 23.4 mm-40 -125.11 144.04 50.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.307 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.23 131.05 38.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.292 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.403 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 6.2 mmt -96.13 147.06 32.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -49.68 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.537 1.809 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.76 166.64 12.54 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.561 1.163 . . . . 0.0 109.984 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -68.36 -41.06 81.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.43 1.082 . . . . 0.0 109.282 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.91 -51.02 66.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.24 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.403 ' O ' ' SD ' ' A' ' 94' ' ' MET . 52.7 m-20 -51.54 -26.7 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.414 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -80.7 -45.49 17.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 1.082 . . . . 0.0 109.259 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.476 HD12 ' O ' ' A' ' 97' ' ' LYS . 4.5 mt -61.25 -50.49 80.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -50.96 -57.8 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.464 1.102 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.539 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.6 t60 -54.75 -40.01 68.9 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.624 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.556 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 74.5 t80 -71.85 -26.55 62.41 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 110.987 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.86 -34.27 24.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.985 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.23 -42.29 26.29 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.458 1.099 . . . . 0.0 109.294 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.453 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 9.1 mt -51.87 -58.91 5.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.328 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.928 ' CE1' HD21 ' A' ' 47' ' ' LEU . 63.3 t80 -63.96 -9.04 13.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.152 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -94.91 -19.87 19.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 110.3 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.419 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.6 pt-20 -86.95 -41.51 13.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.448 1.092 . . . . 0.0 110.335 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.549 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.6 -62.49 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.148 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.74 HG22 ' O ' ' A' ' 128' ' ' PHE . 16.6 p -71.29 -39.37 71.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.098 . . . . 0.0 110.393 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 101.03 -19.99 49.58 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.542 1.152 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -100.57 152.75 20.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.747 . . . . 0.0 109.294 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.667 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -63.25 150.68 42.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -64.9 -43.59 92.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 107.989 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.4 96.74 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 109.577 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 2.0 t -134.57 -49.61 0.78 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.112 . . . . 0.0 110.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 118' ' ' SER . 0.9 OUTLIER 164.06 -89.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -113.19 150.73 31.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -99.2 160.66 14.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.6 m -133.37 119.69 20.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 110.37 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.574 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.1 OUTLIER -66.99 112.34 4.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.412 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -112.9 161.84 24.66 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.958 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.31 9.9 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt 77.31 -0.08 2.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.661 ' O ' HD23 ' A' ' 49' ' ' LEU . 13.5 mmtm -88.81 138.3 31.54 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.74 ' O ' HG22 ' A' ' 112' ' ' THR . 53.0 m-85 -81.37 126.0 31.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 110.972 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.574 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 25.6 p90 -112.36 163.89 16.65 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.03 6.93 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.453 1.765 . . . . 0.0 111.009 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.873 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.7 mt -73.72 -80.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.28 94.29 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.9 mp -83.03 -69.7 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.49 170.62 22.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -108.67 -165.36 20.83 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.127 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 124.17 8.45 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.486 1.782 . . . . 0.0 110.985 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 86.0 p 41.45 88.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.149 . . . . 0.0 110.032 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -107.19 79.82 1.35 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 O-C-N 124.517 1.135 . . . . 0.0 111.001 -179.978 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -177.24 140.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 0.777 . . . . 0.0 109.99 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.7 p -154.53 167.84 28.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.87 109.79 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.45 164.45 24.75 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 109.981 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -154.29 165.22 37.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.022 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.57 134.61 13.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.492 1.12 . . . . 0.0 110.997 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.69 159.24 43.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 0.727 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m 63.23 169.81 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.011 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.7 pm0 -172.4 165.71 5.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.313 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.29 75.58 5.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -136.7 98.57 3.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.297 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.6 mtp 59.11 153.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.89 139.66 4.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.643 ' O ' HG22 ' A' ' 16' ' ' THR . 4.1 mt -146.17 81.09 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 15' ' ' LEU . 14.8 t 47.32 -174.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.138 . . . . 0.0 110.433 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.4 mp -90.5 106.05 18.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.32 125.18 4.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.332 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.84 152.93 12.95 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.63 -150.45 16.07 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.911 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.66 165.02 25.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 0.765 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.36 144.45 34.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.112 . . . . 0.0 109.277 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.574 HG22 HD22 ' A' ' 65' ' ' LEU . 31.2 t -95.01 155.63 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.265 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.86 141.93 55.84 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.338 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -20.68 16.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.54 1.811 . . . . 0.0 110.961 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.54 -16.27 61.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.458 ' CB ' HD11 ' A' ' 65' ' ' LEU . 52.3 p -80.18 -31.03 38.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.149 . . . . 0.0 109.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.691 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.11 -17.74 49.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.523 1.139 . . . . 0.0 110.967 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.785 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -96.92 16.88 18.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.259 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.1 pt-20 -62.23 -29.02 70.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.15 12.03 12.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -121.85 -57.56 1.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 109.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.548 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.57 168.59 8.98 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.553 1.158 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.47 ' HA ' HG21 ' A' ' 23' ' ' VAL . 9.3 p-80 -133.89 157.94 44.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 109.607 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.779 ' CG1' HG13 ' A' ' 42' ' ' VAL . 97.7 t -52.01 118.71 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.673 HD11 HD11 ' A' ' 101' ' ' ILE . 0.0 OUTLIER -53.09 117.19 2.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.491 ' HG3' HG22 ' A' ' 42' ' ' VAL . 2.8 mt-10 -108.5 129.32 55.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 110.353 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.421 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.0 tttm -140.08 143.39 36.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 1.104 . . . . 0.0 109.313 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.09 47.54 5.35 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.14 . . . . 0.0 111.008 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.95 35.14 47.49 Favored Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.3 mmmt -133.36 129.34 37.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 0.74 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.911 HG11 ' HB2' ' A' ' 21' ' ' ALA . 41.3 t -86.7 138.86 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 104' ' ' PHE . 14.2 m-85 -89.47 55.5 3.26 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -131.19 96.79 4.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 110.03 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.5 48.07 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 18.7 m -115.92 97.75 6.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 108' ' ' TYR . 42.4 mt -84.44 161.03 20.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.562 1.163 . . . . 0.0 109.274 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.804 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -161.28 136.57 4.49 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.492 1.12 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.603 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.7 tp -132.3 149.53 52.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 0.774 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 44.0 t -145.28 130.28 13.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.46 136.8 34.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -86.09 -34.96 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.548 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.2 m -80.47 -54.0 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.548 ' N ' HG23 ' A' ' 53' ' ' VAL . 27.0 mtmt -70.96 -24.01 62.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 60.59 32.3 77.83 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 11.9 p -101.03 158.48 15.98 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 0.788 . . . . 0.0 110.407 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.416 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.5 m-20 -125.86 106.59 9.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 70.1 m -108.98 150.73 27.32 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.459 1.1 . . . . 0.0 110.041 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.578 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 15.8 p90 -146.26 128.3 15.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.556 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 29.0 t80 -119.46 105.83 11.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HB2' ' OG ' ' A' ' 78' ' ' SER . 0.0 OUTLIER -94.07 138.36 32.23 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.561 HD22 ' HB2' ' A' ' 108' ' ' TYR . 13.0 tp -125.83 139.39 53.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -155.03 123.44 5.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 110.327 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' CD2' HD12 ' A' ' 36' ' ' LEU . 2.7 tp -104.6 103.65 13.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.601 HD12 HD23 ' A' ' 29' ' ' LEU . 14.1 mt -78.98 145.18 34.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.11 . . . . 0.0 109.273 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.597 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 22.6 tt0 -124.35 134.6 53.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -59.53 141.98 53.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -64.41 -18.14 64.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.326 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -116.46 12.22 15.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 46.05 93.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.294 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -173.66 -47.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.478 ' O ' ' CZ3' ' A' ' 74' ' ' TRP . 20.2 ttm180 -116.03 120.79 40.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.254 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.597 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 7.1 m-85 -121.99 165.36 16.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.478 ' CZ3' ' O ' ' A' ' 72' ' ' ARG . 14.1 m-90 -136.51 154.1 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 107.985 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.633 HD11 ' O ' ' A' ' 100' ' ' ALA . 3.2 mm -119.05 102.16 12.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 1.093 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -89.93 139.37 30.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.473 ' HD3' ' CD1' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -146.77 114.59 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.415 ' OG ' ' HB2' ' A' ' 61' ' ' LYS . 53.1 p -105.09 137.68 42.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.1 p90 -150.25 151.45 33.0 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 108.022 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 141.47 154.14 6.11 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.641 ' HE ' HG21 ' A' ' 84' ' ' THR . 2.0 mpp_? -51.18 151.58 2.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 0.787 . . . . 0.0 110.303 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.0 t -62.06 -63.98 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -123.89 71.58 0.43 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.471 1.107 . . . . 0.0 111.014 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.686 HG22 ' H ' ' A' ' 85' ' ' VAL . 3.5 m -145.68 -167.31 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.686 ' H ' HG22 ' A' ' 84' ' ' THR . 20.6 m -78.69 -29.95 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.528 HG22 ' HA2' ' A' ' 80' ' ' GLY . 64.5 mt -66.85 140.14 19.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 166.36 110.23 0.23 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.124 . . . . 0.0 110.976 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.72 166.13 32.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.994 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -139.32 178.36 7.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' CZ ' ' A' ' 77' ' ' ARG . 9.6 ttpt -149.97 138.33 20.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.354 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.8 tp -135.7 114.22 11.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 109.299 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -124.18 145.38 49.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -93.29 117.94 30.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 110.264 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.452 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 6.0 mmt -79.35 152.18 75.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -55.46 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.524 1.802 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -117.36 165.23 13.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.17 -36.89 85.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.1 mt-10 -67.45 -56.59 9.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.145 . . . . 0.0 110.293 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -43.58 -33.99 1.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.633 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.47 -42.85 34.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.818 HG23 ' CE ' ' A' ' 105' ' ' MET . 48.4 mt -67.36 -50.9 58.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -54.21 -48.95 70.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -57.84 -55.01 40.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.617 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.478 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 45.6 t80 -45.75 -53.49 9.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.954 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.818 ' CE ' HG23 ' A' ' 101' ' ' ILE . 1.3 mpp? -54.08 -34.81 61.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 111.001 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -75.06 -45.44 41.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' CD1' ' HD3' ' A' ' 77' ' ' ARG . 12.0 mt -52.71 -57.01 11.51 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 62' ' ' LEU . 42.2 t80 -66.87 -6.86 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.974 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 43.4 tt0 -102.28 -18.34 15.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.471 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.9 pt-20 -83.26 -31.54 26.9 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.556 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 20.2 mmtt -82.74 -69.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 109.288 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.643 HG22 ' O ' ' A' ' 128' ' ' PHE . 30.8 p -61.3 -30.79 70.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 88.31 -16.74 51.63 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -100.11 157.04 16.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -72.98 155.36 39.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 30.7 t-105 -53.36 -58.8 5.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 107.984 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.18 86.7 2.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.098 . . . . 0.0 109.597 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.539 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.3 OUTLIER -126.64 57.53 1.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.46 -91.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.88 -168.33 1.4 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -113.92 149.34 35.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.461 1.101 . . . . 0.0 110.965 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 47.8 m -124.21 105.65 9.67 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.369 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.448 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -68.03 121.74 16.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.404 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 5.5 m-85 -123.08 167.21 15.19 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.487 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.6 Cg_endo -74.9 123.08 7.67 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.433 1.754 . . . . 0.0 111.022 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.603 ' O ' HD13 ' A' ' 49' ' ' LEU . 19.5 mtmt 86.7 -40.72 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.506 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 37.0 mmtm -48.27 138.9 9.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.643 ' O ' HG22 ' A' ' 112' ' ' THR . 77.3 m-85 -83.43 134.25 34.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.586 ' HE1' HD23 ' A' ' 131' ' ' LEU . 12.1 p90 -114.49 163.42 19.34 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.441 1.088 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.98 6.93 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.493 1.786 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.804 HD21 ' HA3' ' A' ' 48' ' ' GLY . 86.7 mt -67.94 -92.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -46.57 132.43 10.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.259 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 133' ' ' ILE . 21.6 mm -115.09 125.94 72.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 7.7 t -168.3 146.91 4.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.035 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -106.5 155.97 16.37 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.517 1.136 . . . . 0.0 110.985 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 106.37 2.26 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.503 1.791 . . . . 0.0 111.02 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 80.3 p 179.03 83.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 53.9 p -178.79 162.23 1.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 1.131 . . . . 0.0 110.004 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 O-C-N 124.529 1.143 . . . . 0.0 110.978 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.71 -58.41 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 0.765 . . . . 0.0 110.003 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.7 m -133.74 163.75 28.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.97 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.8 174.32 15.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.463 1.102 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.0 122.91 12.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 0.779 . . . . 0.0 110.02 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.62 82.66 0.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 110.038 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.47 93.73 0.09 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -132.24 -63.56 0.8 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.568 0.805 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 65.52 154.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 110.001 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -163.65 148.77 10.9 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.496 1.123 . . . . 0.0 110.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -137.85 -68.0 0.47 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -151.17 132.28 14.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 51.87 100.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.982 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.78 129.54 12.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -87.54 169.61 12.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.55 1.156 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.1 t -111.23 -32.89 6.6 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 0.0 110.409 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 40.88 54.13 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 146.93 23.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.3 79.52 0.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.464 1.103 . . . . 0.0 110.955 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.03 178.58 4.31 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.946 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -126.52 161.44 27.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.26 129.88 40.74 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.731 HG22 HD22 ' A' ' 65' ' ' LEU . 38.3 t -70.85 150.9 9.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -78.25 146.41 70.7 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.454 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.04 -18.61 18.51 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.514 1.797 . . . . 0.0 110.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -71.83 -20.61 61.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.252 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.31 -29.78 38.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.43 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 85.47 -14.94 48.68 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.466 1.104 . . . . 0.0 111.003 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.69 ' HB3' ' HB3' ' A' ' 33' ' ' ALA . 0.2 OUTLIER -91.07 10.2 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 109.308 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.454 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -59.67 -29.19 67.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 11.87 12.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 109.601 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -119.97 -55.88 2.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.69 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -113.22 178.94 4.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.498 ' CE1' ' OE2' ' A' ' 66' ' ' GLU . 38.8 p-80 -137.76 160.02 40.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.587 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.641 HG11 ' HB3' ' A' ' 21' ' ' ALA . 93.1 t -54.98 117.25 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.559 HD22 ' N ' ' A' ' 37' ' ' GLU . 0.3 OUTLIER -57.09 118.67 5.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.567 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -110.33 151.24 27.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 110.311 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 41' ' ' LYS . 15.6 tttp -158.09 151.21 22.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 109.297 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 42.79 43.45 5.23 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.461 1.101 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 56.8 32.98 62.52 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -124.36 179.32 4.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.946 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.0 t -132.74 138.04 52.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.339 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 104' ' ' PHE . 5.2 m-85 -86.86 42.04 1.0 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.09 . . . . 0.0 110.998 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.2 t -119.86 98.17 5.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.469 1.106 . . . . 0.0 110.01 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -123.99 131.15 53.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 45.8 m -106.26 101.49 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.575 HD21 ' CE1' ' A' ' 108' ' ' TYR . 79.5 mt -87.67 156.4 19.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.5 123.39 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.596 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -125.91 140.86 52.29 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.525 0.779 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 56' ' ' THR . 58.0 t -134.58 141.11 44.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.28 138.96 31.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -89.22 -35.15 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 9.1 t -83.81 -59.4 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 109.234 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -65.52 -16.96 64.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.34 31.12 50.28 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.645 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.5 p -100.1 164.44 11.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 0.754 . . . . 0.0 110.386 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -113.79 141.2 47.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.8 m -142.27 143.24 32.74 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 16.4 p90 -138.68 122.19 17.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 0.0 110.984 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 64.8 t80 -110.89 110.05 20.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -96.41 140.55 30.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 8.9 tp -131.26 118.41 20.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -138.52 117.94 12.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 110.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.833 HD11 ' NZ ' ' A' ' 97' ' ' LYS . 0.9 OUTLIER -99.93 103.41 14.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.257 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.731 HD22 HG22 ' A' ' 23' ' ' VAL . 10.1 mt -78.21 159.2 28.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.501 ' CB ' HD23 ' A' ' 36' ' ' LEU . 1.3 tm-20 -151.63 118.31 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 110.331 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.63 140.48 58.88 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 7.1 t0 -98.39 -61.16 1.42 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -46.12 -60.96 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -103.71 -168.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 0.0 110.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -111.02 82.13 1.54 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.298 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.525 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 44.5 mtt180 -141.11 161.93 36.7 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.264 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.648 ' CE2' ' CD ' ' A' ' 97' ' ' LYS . 12.5 m-85 -153.46 165.12 36.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 111.027 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 31.2 m-90 -146.34 154.05 41.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.0 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.86 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.0 mm -117.29 97.4 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -90.22 110.72 21.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.976 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.86 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -118.77 114.72 23.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.334 179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.54 145.42 30.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 15.0 p90 -158.86 175.03 14.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 108.01 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 118.34 172.88 15.76 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.475 1.109 . . . . 0.0 111.041 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' CB ' ' HB ' ' A' ' 84' ' ' THR . 0.0 OUTLIER -61.04 165.23 4.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 0.796 . . . . 0.0 110.278 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 4.5 t -81.93 -64.29 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.335 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -117.21 64.56 0.36 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.532 1.145 . . . . 0.0 111.003 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.741 HG22 ' H ' ' A' ' 85' ' ' VAL . 7.8 m -141.88 -172.9 3.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 0.774 . . . . 0.0 110.427 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.741 ' H ' HG22 ' A' ' 84' ' ' THR . 11.8 m -74.53 -33.51 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.492 HG22 ' N ' ' A' ' 87' ' ' GLY . 25.4 mt -59.27 165.79 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.492 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 139.8 113.84 1.12 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.503 1.127 . . . . 0.0 111.015 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -152.2 169.54 22.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 0.771 . . . . 0.0 109.973 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.41 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.2 p-10 -139.15 -178.3 5.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -147.35 116.74 6.99 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.1 tp -120.77 114.72 22.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.38 134.63 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 110.315 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.14 120.97 22.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.528 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 42.6 mmm -79.19 147.01 68.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 111.028 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -58.57 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.556 1.819 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -117.75 136.54 53.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.833 ' NZ ' HD11 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -39.6 -57.69 1.43 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 109.26 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 102' ' ' GLU . 2.9 mt-10 -46.88 -48.59 21.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -60.87 -26.32 67.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.528 ' HB2' ' CB ' ' A' ' 94' ' ' MET . . . -79.68 -40.95 27.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' A' ' 105' ' ' MET . 6.1 mt -65.18 -51.64 62.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 109.314 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 98' ' ' GLU . 1.7 mt-10 -51.98 -49.42 63.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.562 1.164 . . . . 0.0 110.34 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.768 ' HD2' HG21 ' A' ' 75' ' ' ILE . 15.3 t60 -59.17 -21.2 59.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.1 . . . . 0.0 109.609 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.603 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 42.7 t80 -99.15 -25.83 14.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.53 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.6 OUTLIER -85.64 -37.36 19.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 110.988 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.9 -47.56 20.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 109.332 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.521 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 14.2 mt -50.85 -54.83 20.55 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.306 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 63.9 t80 -64.32 -10.14 22.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 28.2 tt0 -95.88 -21.44 18.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.262 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.424 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 3.8 pt-20 -83.78 -41.59 17.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 33.0 mmtt -65.27 -63.24 1.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . . . . . . . . . 20.5 p -70.12 -38.79 75.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 110.37 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.409 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 101.49 -21.86 41.08 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.539 1.149 . . . . 0.0 110.99 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.6 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.0 OUTLIER -100.51 151.87 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.426 0.721 . . . . 0.0 109.289 -179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -61.83 155.27 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -75.98 -36.84 59.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 107.984 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.12 57.32 0.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.599 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.51 164.58 24.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.978 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.07 156.0 19.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.304 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 61.64 120.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.6 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 62.2 t80 -109.77 135.08 51.25 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 m -113.93 115.74 28.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.141 . . . . 0.0 110.387 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -74.69 93.77 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -87.72 162.95 40.24 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.02 122.57 7.28 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.493 1.786 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.434 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.2 mtmt 84.08 -9.53 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 30.4 mmtt -80.5 133.8 35.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.34 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.596 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 36.4 m-85 -74.22 143.52 45.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 110.998 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.889 ' CE1' HD23 ' A' ' 131' ' ' LEU . 10.0 p90 -132.25 164.43 43.36 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 111.014 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 121.64 6.7 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.475 1.776 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.889 HD23 ' CE1' ' A' ' 129' ' ' TYR . 93.6 mt -69.59 -88.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.03 140.3 52.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.299 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mt -138.1 152.78 26.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 37.4 t -137.85 165.13 27.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.042 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -127.52 158.22 21.15 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.93 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.509 1.794 . . . . 0.0 110.994 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 33.0 t -148.4 -57.68 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.012 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.89 172.02 7.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.028 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 p -167.01 171.96 10.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 0.799 . . . . 0.0 109.979 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.5 p -166.19 163.35 17.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.01 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.11 140.02 5.09 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.3 t 178.99 163.2 0.8 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.528 0.781 . . . . 0.0 110.041 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 m -177.25 166.97 2.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.965 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.05 104.89 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.39 177.67 5.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -135.54 166.99 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.977 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -161.23 169.86 21.38 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 174.52 147.61 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.84 166.59 31.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -167.98 169.22 11.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.19 160.32 17.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.322 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.3 tp -174.13 138.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.2 t -104.77 146.71 28.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.436 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HA ' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -119.13 143.55 47.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.72 159.84 44.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 138.44 87.59 0.17 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.996 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -45.44 146.19 2.42 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.691 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.73 165.14 25.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 0.773 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.76 141.12 31.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.764 HG22 HD22 ' A' ' 65' ' ' LEU . 24.5 t -96.78 158.04 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 147.59 44.3 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.499 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.04 -20.0 17.21 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.507 1.793 . . . . 0.0 111.001 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -74.62 -14.62 60.79 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.428 ' HB2' ' CD1' ' A' ' 65' ' ' LEU . 79.2 p -78.96 -32.59 45.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.005 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.801 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.01 -14.49 60.41 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.53 1.144 . . . . 0.0 111.009 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.819 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -102.52 14.55 31.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 0.759 . . . . 0.0 109.276 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.499 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -60.11 -30.45 69.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.46 11.84 13.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.574 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.8 t -121.02 -56.94 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.91 176.95 4.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.352 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.509 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.7 p-80 -144.82 158.54 43.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.606 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG21 ' HB3' ' A' ' 21' ' ' ALA . 54.0 t -50.72 131.4 11.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.471 1.107 . . . . 0.0 109.308 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD12 ' H ' ' A' ' 37' ' ' GLU . 34.0 tp -65.65 155.8 34.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.759 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.9 mt-10 -144.2 129.11 18.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.298 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -145.74 145.29 30.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 49.16 50.25 28.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.79 40.24 25.78 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.33 168.55 18.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.691 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.9 t -121.34 136.48 58.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.552 ' CE2' HD23 ' A' ' 36' ' ' LEU . 4.5 m-85 -82.69 53.39 2.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.999 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 41.6 t -130.18 98.23 4.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 110.042 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.52 127.12 51.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.355 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.7 m -99.17 104.35 16.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.415 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.758 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.6 OUTLIER -83.05 156.19 23.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.753 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -157.17 111.16 0.47 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.894 HD23 ' O ' ' A' ' 127' ' ' LYS . 3.2 tm? -119.48 139.77 51.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.466 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -144.59 134.29 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -88.39 136.89 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -90.09 -32.86 5.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.8 t -83.55 -61.02 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.222 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' O ' HG23 ' A' ' 56' ' ' THR . 5.1 mmtt -62.85 -14.66 48.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 109.27 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.96 35.33 63.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.482 1.114 . . . . 0.0 110.963 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.794 HG22 HH21 ' A' ' 81' ' ' ARG . 17.7 p -114.81 121.68 44.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.352 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -93.69 144.3 25.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.534 ' N ' ' O ' ' A' ' 49' ' ' LEU . 13.5 t -137.58 161.66 35.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.622 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.0 p90 -151.94 120.37 6.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.576 ' OH ' ' NH2' ' A' ' 77' ' ' ARG . 25.9 t80 -113.69 152.17 30.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.91 129.83 32.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.679 HD11 HH12 ' A' ' 77' ' ' ARG . 11.4 tp -122.89 124.09 42.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -142.28 129.5 21.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.554 ' C ' HD12 ' A' ' 64' ' ' LEU . 0.3 OUTLIER -101.92 104.46 15.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.764 HD22 HG22 ' A' ' 23' ' ' VAL . 51.0 mt -79.03 134.96 36.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.265 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.527 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tt0 -123.23 141.73 51.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.323 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.458 ' O ' ' C ' ' A' ' 68' ' ' ASP . 1.3 t70 -59.67 150.86 26.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.458 ' C ' ' O ' ' A' ' 67' ' ' ASP . 77.8 m-20 -36.46 -49.65 0.74 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 5.3 mttm -96.16 -89.46 0.26 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 178.16 93.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.324 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -167.05 -44.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.514 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 7.1 mtt180 -111.41 136.18 50.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.29 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.527 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 29.5 m-85 -144.93 161.28 39.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 111.033 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.567 ' CE3' ' HG ' ' A' ' 29' ' ' LEU . 29.7 m-90 -136.78 162.1 34.13 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 6.1 mm -121.4 103.4 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -90.52 134.24 34.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 110.983 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 1.111 ' NH1' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -143.82 116.99 8.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.59 160.55 16.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.122 . . . . 0.0 109.969 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.42 ' HB3' ' CD1' ' A' ' 60' ' ' TYR . 15.6 p90 -172.89 154.96 3.01 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 158.43 166.44 17.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.506 1.128 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.794 HH21 HG22 ' A' ' 56' ' ' THR . 0.1 OUTLIER -77.38 158.72 29.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 0.765 . . . . 0.0 110.282 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 68.8 t -84.9 149.89 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.095 . . . . 0.0 109.31 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 74.15 -57.26 2.33 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.482 1.114 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 72.5 p -47.42 175.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 0.781 . . . . 0.0 110.44 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 9.5 m -95.7 -14.08 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.302 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 57.1 mt -53.04 126.94 10.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.286 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.52 111.81 0.49 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.475 1.11 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -130.38 146.31 51.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 0.728 . . . . 0.0 109.999 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -133.19 164.09 27.83 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -132.39 135.63 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 109.276 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 tp -132.5 125.8 31.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.358 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -139.98 120.94 14.58 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.314 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -70.4 136.24 49.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 110.302 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . . . . . . . . . 4.3 mmt -98.86 149.43 35.73 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -47.66 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.84 165.48 15.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.974 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.525 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.7 OUTLIER -67.55 -41.72 83.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -63.68 -52.79 59.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 110.295 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -49.68 -25.89 3.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 0.0 109.245 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.439 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -81.11 -40.7 23.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CG1' HD21 ' A' ' 36' ' ' LEU . 5.0 mt -70.0 -49.56 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -53.92 -46.38 71.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.274 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -63.88 -50.16 69.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.611 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.436 ' CE2' ' CZ3' ' A' ' 116' ' ' TRP . 60.1 t80 -63.69 -27.09 68.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.971 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -79.17 -39.49 33.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 111.032 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -79.64 -42.91 23.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 1.111 HD13 ' NH1' ' A' ' 77' ' ' ARG . 17.6 mt -53.75 -48.16 69.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.493 ' HB2' ' CD2' ' A' ' 62' ' ' LEU . 67.5 t80 -68.9 -7.57 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.988 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.419 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 27.5 tt0 -98.28 -23.4 15.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' OE1' HD23 ' A' ' 107' ' ' LEU . 3.1 pt-20 -83.78 -31.36 25.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.265 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.571 ' HE3' ' CZ ' ' A' ' 60' ' ' TYR . 3.3 mmtp -77.77 -61.35 2.02 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 128' ' ' PHE . 17.3 p -73.01 -27.22 61.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.397 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 90.58 -22.08 29.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.499 1.125 . . . . 0.0 110.989 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -101.96 147.02 27.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 0.787 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.535 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.0 155.13 14.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.125 . . . . 0.0 109.272 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.436 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 3.7 t-105 -62.96 -48.22 79.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 107.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -102.09 74.98 1.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.547 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 41.6 t -131.47 133.52 45.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.68 164.73 25.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 109.346 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 41.23 89.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 109.245 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -77.63 113.8 15.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.974 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.6 m -87.48 114.99 24.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.095 . . . . 0.0 110.428 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.72 92.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.5 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 6.0 m-85 -68.01 171.01 6.13 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.941 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -95.17 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.507 1.793 . . . . 0.0 111.014 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 9.6 mttp -75.91 58.32 1.14 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.894 ' O ' HD23 ' A' ' 49' ' ' LEU . 3.7 mmtm -132.39 158.86 40.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.831 ' O ' HG22 ' A' ' 112' ' ' THR . 45.2 m-85 -97.87 116.65 30.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.882 ' CE1' HD23 ' A' ' 131' ' ' LEU . 5.4 p90 -105.34 163.76 16.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.96 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 117.11 4.79 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.456 1.766 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.882 HD23 ' CE1' ' A' ' 129' ' ' TYR . 58.1 mt -64.67 -78.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.33 107.96 1.79 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.14 . . . . 0.0 110.305 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.3 mt -108.17 137.36 40.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.356 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 74.5 p -174.81 89.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.987 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.31 166.32 35.79 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.491 1.119 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 179.56 5.98 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -177.85 162.44 1.71 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.023 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.9 t -81.76 144.4 31.13 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.984 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.937 0 O-C-N 124.52 1.138 . . . . 0.0 111.023 -179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 77.4 p -173.13 159.87 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.83 164.32 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 -178.19 45.93 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.457 1.098 . . . . 0.0 110.983 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.28 164.66 32.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.1 p -160.69 147.6 15.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.999 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.83 175.82 18.23 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -151.93 89.08 1.43 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.8 t -71.37 131.31 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.522 1.139 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -170.21 169.78 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 110.316 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -165.8 72.43 0.17 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.419 ' CZ ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -153.85 134.19 13.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.162 . . . . 0.0 110.31 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 8.6 mtm -145.28 90.95 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' HG3' ' CZ ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -110.13 -64.72 1.23 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -159.07 118.23 2.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.288 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.8 t -167.04 164.14 15.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.391 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -50.02 -60.59 2.79 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.42 155.16 12.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.294 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.64 -113.6 0.29 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.455 1.097 . . . . 0.0 111.04 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 70.54 -178.3 31.94 Favored Glycine 0 CA--C 1.531 1.055 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.88 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -91.56 164.41 13.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.77 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.19 134.85 36.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.525 HG22 HD22 ' A' ' 65' ' ' LEU . 45.1 t -86.2 150.67 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -82.7 147.33 55.09 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.108 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.461 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.0 -16.3 20.28 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.953 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.82 -26.61 66.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.469 ' CB ' HD11 ' A' ' 65' ' ' LEU . 62.9 p -77.26 -30.35 54.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.969 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.604 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 91.18 -23.91 21.73 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.525 1.141 . . . . 0.0 110.963 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.814 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -91.47 21.63 4.46 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 0.783 . . . . 0.0 109.309 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -63.25 -28.67 70.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.14 10.22 12.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.459 1.1 . . . . 0.0 109.633 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.91 -55.56 2.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.029 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -108.43 160.69 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.466 ' NE2' ' CD ' ' A' ' 66' ' ' GLU . 6.6 p-80 -123.95 159.57 29.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.641 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.643 ' CG1' HG13 ' A' ' 42' ' ' VAL . 77.9 t -52.29 116.06 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.698 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -46.75 121.32 3.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 109.313 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.502 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.1 mt-10 -117.55 135.98 53.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' A' ' 41' ' ' LYS . 17.5 tttp -151.54 153.66 34.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.79 44.35 4.41 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.91 38.27 64.62 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.9 mmmt -131.72 174.64 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 0.783 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.88 HG11 ' HB2' ' A' ' 21' ' ' ALA . 42.1 t -127.51 137.18 58.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.538 ' CD2' HD23 ' A' ' 64' ' ' LEU . 5.2 m-85 -84.12 50.21 1.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.122 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 44.3 t -124.55 97.43 5.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.442 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -120.28 135.6 54.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 64.1 m -118.47 97.23 5.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.401 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.622 HD21 ' CE1' ' A' ' 108' ' ' TYR . 61.0 mt -83.97 162.96 20.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.788 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -165.17 141.13 6.83 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.545 1.153 . . . . 0.0 110.966 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.552 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.3 tp -142.37 145.55 33.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.291 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 91.8 t -133.11 129.68 57.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.04 113.49 25.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tt -78.47 -33.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.3 m -76.78 -53.89 14.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.313 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.553 ' O ' HG23 ' A' ' 56' ' ' THR . 12.4 mmtt -74.61 -9.22 58.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.84 39.97 63.41 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.48 1.113 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.553 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.2 p -121.18 176.45 5.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 0.743 . . . . 0.0 110.382 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.855 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.2 m-20 -125.98 158.42 35.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.299 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 49' ' ' LEU . 4.1 m -153.49 139.16 17.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.985 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.614 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 3.7 p90 -142.56 144.01 32.72 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.115 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.529 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 36.5 t80 -140.85 124.92 17.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -111.53 146.42 37.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.617 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.8 tp -142.86 115.62 8.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -134.02 120.96 20.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 110.248 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.698 ' CD2' HD12 ' A' ' 36' ' ' LEU . 0.7 OUTLIER -96.58 119.31 34.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.65 ' N ' HD12 ' A' ' 64' ' ' LEU . 25.2 mt -95.11 148.0 22.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.633 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 7.3 pt-20 -135.98 142.62 44.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 110.285 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 15.5 t0 -79.35 125.36 29.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -82.52 -35.06 27.67 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 20.4 mttt -85.24 -77.57 0.28 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.478 1.111 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 2.1 mm-40 -79.82 -163.7 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 17.9 p30 -120.31 88.28 2.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.329 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -152.56 134.59 14.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.284 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.633 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 51.0 m-85 -127.47 137.09 52.59 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.477 ' CZ2' ' OE1' ' A' ' 93' ' ' GLN . 28.2 m-90 -110.21 162.6 14.44 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.152 . . . . 0.0 107.998 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.807 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 4.7 mm -124.81 97.03 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -90.54 106.52 18.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.807 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -112.3 119.13 37.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -112.13 137.91 49.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.038 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 22.4 p90 -148.38 165.26 31.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 0.0 107.985 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 156.39 132.71 1.54 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.557 1.161 . . . . 0.0 110.965 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -75.3 106.21 6.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 0.779 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.855 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -64.16 153.05 7.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 65.41 19.55 66.72 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.116 . . . . 0.0 111.026 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.52 HG22 HG22 ' A' ' 85' ' ' VAL . 21.2 m -136.53 -128.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 0.739 . . . . 0.0 110.425 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.52 HG22 HG22 ' A' ' 84' ' ' THR . 14.6 m -131.71 -48.98 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.307 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.475 ' C ' ' O ' ' A' ' 85' ' ' VAL . 83.1 mt -34.79 147.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 168.58 137.11 2.18 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 m 177.47 173.63 0.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 0.762 . . . . 0.0 109.991 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -140.1 -177.72 5.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.351 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.47 134.15 10.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.9 tp -136.36 116.33 13.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 2.3 mt-10 -126.41 160.71 29.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.31 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.477 ' OE1' ' CZ2' ' A' ' 74' ' ' TRP . 19.1 tt0 -104.93 118.1 35.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.325 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.406 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.9 mmt -82.11 146.7 55.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -50.16 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.458 1.767 . . . . 0.0 111.026 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -117.35 163.79 15.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.1 tttt -63.77 -44.04 94.61 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.462 ' O ' ' N ' ' A' ' 101' ' ' ILE . 3.2 mt-10 -61.47 -54.71 39.81 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.258 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.406 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.0 OUTLIER -45.83 -28.96 1.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -82.31 -39.3 23.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' PHE . 5.5 mt -70.35 -41.09 78.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.92 -43.08 93.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.609 ' HD2' HG21 ' A' ' 75' ' ' ILE . 31.5 t60 -65.92 -30.9 71.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.529 ' CE1' ' CZ3' ' A' ' 116' ' ' TRP . 2.9 t80 -86.97 -29.63 21.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 111.025 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.472 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -77.52 -34.02 54.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 111.005 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 tttm -80.68 -49.2 11.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.466 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 16.4 mt -49.99 -54.38 20.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.622 ' CE1' HD21 ' A' ' 47' ' ' LEU . 76.4 t80 -65.03 -9.27 20.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 30.8 tt0 -98.05 -20.6 17.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 110.337 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.6 pt-20 -79.31 -41.15 28.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.529 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 23.3 mmtt -67.88 -66.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.424 ' CG2' HD13 ' A' ' 47' ' ' LEU . 30.4 p -64.5 -37.74 88.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 96.71 -18.8 56.86 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.545 1.153 . . . . 0.0 110.986 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -97.85 161.2 13.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 0.784 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.848 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.94 149.28 41.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.11 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.529 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 7.9 t-105 -51.66 -37.69 51.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 107.998 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -147.9 92.3 2.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.602 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.848 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -122.87 -72.18 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 110.011 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.407 ' O ' ' O ' ' A' ' 120' ' ' ASN . 0.0 OUTLIER -177.51 112.95 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.542 1.151 . . . . 0.0 109.312 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.407 ' O ' ' O ' ' A' ' 119' ' ' LYS . 1.1 m-20 50.85 179.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -119.03 144.15 46.7 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 22.7 m -119.41 102.93 9.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.416 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.95 101.01 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -97.41 166.81 12.99 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.92 121.8 6.84 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.526 1.803 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 8.6 mttt 87.92 -33.88 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 49' ' ' LEU . 20.1 mmtm -56.41 134.94 54.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -79.12 143.89 35.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.437 1.086 . . . . 0.0 110.97 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.449 ' CE1' HD23 ' A' ' 131' ' ' LEU . 24.3 p90 -118.47 163.8 23.64 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.027 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 125.59 9.45 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.498 1.788 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.788 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.3 mt -76.79 -67.26 0.72 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.357 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -81.82 120.36 25.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.0 mp -116.44 138.48 46.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.8 t -166.79 81.36 0.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.123 . . . . 0.0 110.011 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 161.15 161.24 11.43 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.529 1.143 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -51.72 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.509 1.794 . . . . 0.0 110.977 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 60.07 85.26 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 3.1 m 58.5 162.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.985 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.975 0 O-C-N 124.522 1.139 . . . . 0.0 110.983 179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -168.58 170.91 9.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 0.731 . . . . 0.0 110.057 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 t -140.33 -60.11 0.53 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.6 -103.93 2.61 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.13 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.74 153.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.954 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.3 p 179.71 169.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.21 -177.81 27.14 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.2 174.64 12.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.312 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 55.9 p -168.89 171.78 8.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.03 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -135.43 168.41 19.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 110.294 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.15 158.55 5.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.314 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.15 143.73 40.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.5 ttm -159.62 153.49 23.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.969 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.67 91.4 5.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.63 113.88 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -54.74 152.74 6.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.386 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.7 tp -105.19 -54.83 2.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.06 179.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.56 -66.83 0.44 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.535 1.147 . . . . 0.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 128.0 157.93 9.54 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.954 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -76.01 165.15 25.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 0.785 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.47 141.76 29.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.651 HG22 HD22 ' A' ' 65' ' ' LEU . 36.4 t -90.4 157.18 2.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -78.74 140.38 58.88 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.494 1.122 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -75.03 -26.66 10.65 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.515 1.797 . . . . 0.0 110.994 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD2' ' ND2' ' A' ' 89' ' ' ASN . 24.9 t0 -67.56 -19.65 65.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 p -78.57 -28.5 45.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.005 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.34 3.8 77.91 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 110.976 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -110.06 18.4 20.07 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.528 0.781 . . . . 0.0 109.292 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.7 pt-20 -81.31 -14.69 57.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.66 7.96 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 109.61 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -128.37 -54.7 1.26 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 110.006 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.689 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -106.35 177.87 4.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.522 ' HA ' HG21 ' A' ' 23' ' ' VAL . 22.2 p-80 -143.7 162.23 36.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.589 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG11 HG13 ' A' ' 42' ' ' VAL . 96.2 t -53.08 116.56 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.468 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.2 OUTLIER -56.19 116.29 2.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.333 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.454 ' N ' HD22 ' A' ' 36' ' ' LEU . 0.6 OUTLIER -105.91 145.69 30.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.71 146.55 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 47.11 45.46 20.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.006 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.24 33.78 52.71 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmmt -128.27 173.6 10.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.55 0.794 . . . . 0.0 109.306 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.954 HG11 ' HB2' ' A' ' 21' ' ' ALA . 52.3 t -122.86 138.2 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' CE2' HG12 ' A' ' 101' ' ' ILE . 4.7 m-85 -88.14 54.93 3.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 t -131.46 99.54 4.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.08 131.04 53.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.5 m -107.21 101.56 10.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.811 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.3 OUTLIER -80.92 156.33 26.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.85 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.28 116.39 0.72 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.472 1.108 . . . . 0.0 110.984 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.611 HD13 ' N ' ' A' ' 50' ' ' VAL . 3.2 tm? -126.64 140.92 52.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.327 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.611 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -145.56 132.29 14.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.271 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.25 144.63 31.43 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.524 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.5 tt -95.6 -34.81 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 5.1 t -83.45 -62.1 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.305 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.542 ' O ' HG23 ' A' ' 56' ' ' THR . 4.0 mmtt -62.68 -13.78 36.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.26 31.53 50.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.0 p -107.73 118.34 36.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.743 . . . . 0.0 110.413 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.758 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.5 m120 -86.24 156.42 20.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 49' ' ' LEU . 30.9 t -151.52 156.9 41.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 109.973 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.636 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 11.8 p90 -152.05 123.92 8.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.49 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 39.9 t80 -113.88 149.69 34.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 111.002 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.9 mmmp? -132.94 132.41 41.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD12 ' NH1' ' A' ' 77' ' ' ARG . 5.5 tp -128.92 114.16 16.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -137.17 116.57 12.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.281 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.578 HD22 ' O ' ' A' ' 100' ' ' ALA . 0.6 OUTLIER -91.95 106.6 18.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.315 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.704 HD12 HD12 ' A' ' 29' ' ' LEU . 59.9 mt -86.32 151.41 23.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.689 ' O ' ' HB1' ' A' ' 33' ' ' ALA . 22.6 tt0 -142.31 143.33 32.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.21 145.62 46.54 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.312 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.11 -24.17 67.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -95.42 9.03 41.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 0.0 109.308 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 44.34 90.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.508 1.13 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -167.02 -49.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.346 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -114.62 121.03 42.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.313 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.579 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 18.9 m-85 -106.5 165.3 11.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.403 ' NE1' ' HB3' ' A' ' 93' ' ' GLN . 16.8 m-90 -135.98 158.77 43.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.133 . . . . 0.0 107.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.723 HG23 ' NE ' ' A' ' 77' ' ' ARG . 4.2 mm -120.66 97.45 5.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.536 1.148 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.513 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 84.2 t80 -91.18 109.26 20.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.02 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.723 ' NE ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -121.36 128.24 52.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 t -127.31 141.62 51.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.006 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 40.8 p90 -138.96 -169.05 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 108.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.56 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 125.88 151.31 7.89 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.507 1.13 . . . . 0.0 111.024 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 69.1 mtt85 -78.35 174.72 10.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 0.739 . . . . 0.0 110.312 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.758 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.8 OUTLIER -117.89 109.72 28.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.11 12.25 27.89 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 34.5 p -117.21 -161.81 0.83 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 0.744 . . . . 0.0 110.427 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.1 m -103.19 -15.4 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 87' ' ' GLY . 4.8 mm -52.23 169.0 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.305 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.534 ' N ' HG22 ' A' ' 86' ' ' ILE . . . 148.06 124.08 1.41 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.93 157.35 1.44 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.438 0.728 . . . . 0.0 109.987 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.417 ' ND2' ' OD2' ' A' ' 26' ' ' ASP . 1.4 p-10 -131.91 -178.73 5.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -149.88 137.96 20.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD11 HD11 ' A' ' 29' ' ' LEU . 19.3 tp -135.65 120.07 18.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -139.76 140.69 36.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.352 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.403 ' HB3' ' NE1' ' A' ' 74' ' ' TRP . 16.1 pt20 -85.29 135.88 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 110.359 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.471 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 41.8 mmm -94.35 152.13 39.93 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.79 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.558 1.82 . . . . 0.0 111.004 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.65 164.87 12.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.966 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.579 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 32.3 tttt -67.17 -41.04 86.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 101' ' ' ILE . 4.6 mt-10 -66.25 -53.91 31.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.274 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.53 -26.29 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.578 ' O ' HD22 ' A' ' 64' ' ' LEU . . . -83.22 -38.19 22.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' ' 97' ' ' LYS . 5.5 mt -73.43 -46.48 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.341 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -56.88 -42.94 80.72 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 14.0 t60 -64.68 -39.91 94.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.552 ' O ' HD21 ' A' ' 62' ' ' LEU . 1.9 t80 -79.3 -21.29 46.21 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.482 1.114 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.495 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -86.0 -41.48 14.82 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 111.05 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.32 -44.98 57.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.586 HD13 ' CD ' ' A' ' 77' ' ' ARG . 17.4 mt -50.68 -54.96 18.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.562 ' HB2' HD22 ' A' ' 62' ' ' LEU . 58.7 t80 -64.59 -8.93 15.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -97.72 -21.54 16.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -89.4 -33.25 16.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.49 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 4.5 mmtp -71.07 -62.68 1.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.811 ' CG2' HD21 ' A' ' 47' ' ' LEU . 7.7 p -74.26 -36.98 63.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.41 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.54 -17.04 54.29 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.512 1.133 . . . . 0.0 110.952 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -103.82 145.3 30.3 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.623 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -59.27 155.2 14.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 22.7 t-105 -51.05 -47.18 61.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 108.021 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.95 85.45 2.33 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.498 1.124 . . . . 0.0 109.572 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.623 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 2.9 p -124.02 49.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.123 . . . . 0.0 110.021 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.2 mttt 49.48 96.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 59.81 167.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -114.87 153.85 29.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 21.8 m -117.41 114.72 23.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.387 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.64 112.57 6.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.558 1.161 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -111.91 164.66 14.61 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 124.05 8.34 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.476 1.777 . . . . 0.0 111.024 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mttt 78.74 -0.61 2.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.09 . . . . 0.0 109.262 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -88.66 128.6 35.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.547 1.154 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.779 ' O ' HG22 ' A' ' 112' ' ' THR . 70.0 m-85 -73.12 124.09 24.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.8 p90 -109.81 164.16 15.43 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.145 . . . . 0.0 110.987 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 118.92 5.44 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.85 HD21 ' HA3' ' A' ' 48' ' ' GLY . 87.2 mt -68.81 -165.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.293 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 52.54 65.93 1.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.294 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 134' ' ' SER . 9.0 mt -132.17 164.09 35.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.499 ' N ' ' CG2' ' A' ' 133' ' ' ILE . 43.7 t -147.96 92.9 2.11 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.567 1.167 . . . . 0.0 109.985 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 87.89 133.84 4.31 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 165.9 30.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 179.32 120.09 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 139' ' ' GLY . 23.4 m -168.68 101.19 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.451 1.094 . . . . 0.0 110.053 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 138' ' ' SER . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.48 1.112 . . . . 0.0 110.963 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -172.84 169.32 4.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 0.756 . . . . 0.0 109.996 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.8 p -152.34 165.96 33.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.103 . . . . 0.0 109.989 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.28 -177.36 24.18 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -151.76 156.38 40.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 0.762 . . . . 0.0 109.99 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.0 p -146.43 167.73 22.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.004 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -87.44 -147.19 11.91 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.65 82.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 0.781 . . . . 0.0 109.306 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m -110.07 150.93 27.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -175.97 117.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.349 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 176.81 176.72 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.349 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.78 133.34 34.76 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.1 tpt -176.24 149.05 0.82 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.38 131.76 46.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.65 138.87 4.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.552 1.157 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.2 t -80.39 -36.2 34.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 110.374 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 63.97 161.23 0.11 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.269 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.73 127.7 45.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.01 179.08 16.07 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.61 159.19 23.03 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.939 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -88.1 165.43 15.13 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.774 . . . . 0.0 109.306 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.35 134.7 33.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.344 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.565 HG22 HD22 ' A' ' 65' ' ' LEU . 39.5 t -85.49 150.66 3.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.45 142.93 67.65 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.442 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.03 -20.27 16.96 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.479 1.779 . . . . 0.0 110.969 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -69.81 -24.04 63.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.525 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.14 -30.4 58.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 89.12 -19.93 36.05 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.529 1.143 . . . . 0.0 111.059 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -91.75 18.36 7.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.513 0.772 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.8 OUTLIER -61.74 -30.8 71.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.318 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -119.72 7.39 11.03 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.582 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.72 -56.07 2.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 110.039 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.557 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -108.47 176.64 5.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.564 ' CE1' ' OE1' ' A' ' 66' ' ' GLU . 46.7 p-80 -137.07 158.82 43.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.621 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 42' ' ' VAL . 84.6 t -53.08 116.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -55.05 116.29 2.69 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.5 mt-10 -106.11 144.25 33.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' LYS . 3.1 ttpp -152.12 145.03 24.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 43.88 43.25 6.73 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.109 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.89 32.8 71.12 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.0 mmmt -127.54 160.13 32.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 0.752 . . . . 0.0 109.265 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.939 HG11 ' HB2' ' A' ' 21' ' ' ALA . 55.1 t -112.22 138.3 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.561 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 5.0 m-85 -85.59 49.63 1.8 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.977 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.529 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -127.17 99.84 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.968 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -122.38 136.89 54.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.3 m -110.64 120.06 41.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.42 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.582 HD21 ' CE2' ' A' ' 108' ' ' TYR . 48.2 mt -103.91 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.922 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -166.31 123.87 1.18 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.534 1.146 . . . . 0.0 110.983 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.814 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.6 tm? -125.75 139.53 53.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 0.775 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.21 137.17 57.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.36 141.66 28.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.282 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.1 tt -93.29 -35.46 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.4 t -83.23 -61.07 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.85 -18.32 64.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 57.23 31.42 62.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 111.036 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.8 p -100.23 176.23 5.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 0.787 . . . . 0.0 110.406 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.408 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 3.6 m-20 -138.7 128.4 24.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.313 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.5 t -123.39 159.47 28.87 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.947 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.609 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 31.7 p90 -152.67 118.22 5.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.562 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 47.4 t80 -108.65 115.7 30.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.971 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -104.26 132.31 50.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.723 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.8 tp -119.07 139.24 52.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.423 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 32.4 mt-30 -156.49 114.75 3.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 43' ' ' PHE . 0.8 OUTLIER -93.79 105.7 17.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.565 HD22 HG22 ' A' ' 23' ' ' VAL . 20.9 mt -85.3 150.25 24.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.492 1.12 . . . . 0.0 109.266 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.588 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -147.97 123.38 10.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.549 1.156 . . . . 0.0 110.32 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.39 143.93 52.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 109.249 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -95.09 -56.94 2.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -54.88 -73.96 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -81.69 -151.36 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 110.299 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.69 91.56 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.305 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.528 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 2.3 ttt180 -150.13 156.0 40.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.316 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.588 ' CE2' ' HG3' ' A' ' 66' ' ' GLU . 14.4 m-85 -142.34 162.67 34.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.492 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 28.6 m-90 -143.83 147.95 34.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.13 . . . . 0.0 108.006 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.702 HG21 ' CD2' ' A' ' 103' ' ' HIS . 4.2 mm -110.14 98.27 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -90.44 118.65 30.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mtp180 -127.01 114.81 18.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.31 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' A' ' 60' ' ' TYR . 1.0 OUTLIER -104.38 148.88 25.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.032 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.531 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 20.6 p90 -162.02 117.39 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.121 . . . . 0.0 108.013 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.479 ' C ' ' CE2' ' A' ' 59' ' ' TYR . . . -158.28 -171.04 23.68 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.482 1.114 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.434 ' HG2' ' CG2' ' A' ' 84' ' ' THR . 14.4 ttt180 -97.61 142.56 29.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 0.758 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 46.2 t -75.19 141.97 15.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.531 ' O ' HG23 ' A' ' 84' ' ' THR . . . 56.04 52.28 50.13 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 83' ' ' GLY . 2.4 p -155.26 177.48 11.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 0.795 . . . . 0.0 110.377 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.1 m -96.45 -20.77 5.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.92 121.61 10.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -148.95 120.66 1.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.531 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 42.9 m -121.76 126.57 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 0.757 . . . . 0.0 110.032 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -130.07 172.51 11.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.2 OUTLIER -151.0 141.1 22.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 19.7 tp -133.28 128.58 36.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -140.67 140.01 34.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.459 1.099 . . . . 0.0 110.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -86.61 129.62 34.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.356 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.415 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 7.4 mmt -90.46 150.72 43.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 111.056 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -55.4 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.445 1.761 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.29 166.87 12.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.156 . . . . 0.0 110.028 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.584 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -60.97 -42.88 99.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 101' ' ' ILE . 2.5 mt-10 -60.21 -59.32 5.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.415 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.92 -28.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.507 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -77.98 -48.64 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 109.291 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.433 HD12 ' O ' ' A' ' 97' ' ' LYS . 3.7 mt -59.9 -40.35 82.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -66.71 -40.15 88.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.836 ' O ' HD23 ' A' ' 107' ' ' LEU . 18.9 t60 -74.84 -2.12 25.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 109.611 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.555 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 54.4 t80 -111.16 -31.26 7.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.12 . . . . 0.0 110.986 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 2.4 mtm -82.2 -34.52 28.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 111.036 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 109' ' ' GLU . 0.2 OUTLIER -78.79 -47.5 16.61 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.5 mm? -48.44 -60.07 2.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.424 1.077 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.723 ' HB2' HD22 ' A' ' 62' ' ' LEU . 12.3 t80 -60.11 -12.64 8.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.4 ' HB3' ' O ' ' A' ' 106' ' ' LYS . 32.3 tt0 -94.68 -20.05 19.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -82.53 -29.78 30.18 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.283 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.562 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 10.7 mmtt -84.47 -65.34 1.02 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.916 HG22 ' O ' ' A' ' 128' ' ' PHE . 31.3 p -61.72 -35.61 78.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.375 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.22 -17.07 59.62 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 110.995 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.4 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 64.6 m-20 -103.84 160.31 14.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.765 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -72.83 149.54 43.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -65.3 -58.45 5.88 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 108.029 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -84.37 65.51 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.611 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.8 t -114.48 137.11 52.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -43.76 -80.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 24.3 t30 -103.01 164.53 11.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.478 ' CZ ' ' HD3' ' A' ' 130' ' ' PRO . 75.9 t80 -118.88 112.45 19.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 m -87.02 123.18 31.84 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.438 1.086 . . . . 0.0 110.424 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.567 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.41 126.66 29.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.454 1.096 . . . . 0.0 109.331 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.506 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 5.7 m-85 -107.5 171.47 4.61 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -95.34 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.495 1.787 . . . . 0.0 110.975 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -77.67 55.66 1.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 109.245 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.814 ' O ' HD23 ' A' ' 49' ' ' LEU . 9.4 mmtt -126.72 163.42 23.54 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.916 ' O ' HG22 ' A' ' 112' ' ' THR . 56.5 m-85 -101.8 109.94 21.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.567 ' CD2' ' HE3' ' A' ' 123' ' ' LYS . 4.3 p90 -100.79 166.14 13.03 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.135 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.478 ' HD3' ' CZ ' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -74.96 128.97 11.95 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.531 1.806 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.922 HD21 ' HA3' ' A' ' 48' ' ' GLY . 37.8 mt -78.91 -52.64 8.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -140.71 113.1 7.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 4.6 mm -61.3 -69.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 1.129 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 96.5 p 179.67 163.36 0.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.43 1.081 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 69.18 134.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 152.03 40.57 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.449 1.763 . . . . 0.0 111.033 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 60.6 m -97.13 162.1 13.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.969 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.13 -60.07 0.54 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.996 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.049 179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -164.74 163.99 21.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 0.747 . . . . 0.0 109.954 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -163.93 156.01 17.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 109.999 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.59 159.76 33.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.537 1.148 . . . . 0.0 110.97 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.6 t -161.41 162.12 30.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 0.791 . . . . 0.0 109.966 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -136.0 -60.37 0.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.975 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.81 152.79 21.94 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.507 1.129 . . . . 0.0 110.951 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.28 148.14 28.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 0.761 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.8 p -172.37 147.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 109.979 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -175.16 149.63 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.351 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.73 135.31 5.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.128 . . . . 0.0 109.324 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -140.15 137.55 34.5 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.324 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 7.0 ttt -173.27 94.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.89 106.32 15.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.588 1.18 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.32 139.98 33.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.5 t -144.68 142.01 29.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 12.9 tp -174.52 114.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.153 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -167.81 -61.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -138.52 -101.04 0.52 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.18 -149.01 17.39 Favored Glycine 0 CA--C 1.529 0.957 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -109.6 165.05 11.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.451 0.736 . . . . 0.0 109.298 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.31 152.43 23.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.596 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -98.78 159.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.71 140.06 40.84 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.55 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.2 Cg_endo -74.99 -19.9 17.42 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.54 1.811 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -76.79 -9.48 58.71 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.135 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.494 ' CB ' HD11 ' A' ' 65' ' ' LEU . 53.0 p -84.32 -32.42 24.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.051 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.753 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 90.1 -15.76 58.82 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.855 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -99.62 12.18 37.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 0.752 . . . . 0.0 109.311 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.55 ' CG ' ' HA ' ' A' ' 25' ' ' PRO . 2.3 pt-20 -59.76 -26.06 65.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.83 12.13 12.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.147 . . . . 0.0 109.585 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -125.04 -57.02 1.53 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.021 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -104.27 164.32 11.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.551 ' HA ' HG21 ' A' ' 23' ' ' VAL . 15.0 p-80 -130.51 160.81 33.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 109.61 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.768 ' CG1' HG13 ' A' ' 42' ' ' VAL . 59.7 t -53.86 114.59 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.627 HD12 ' CD2' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -49.39 119.47 3.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.569 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.3 mt-10 -114.23 132.97 55.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.256 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 25.9 tttp -145.55 146.76 31.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.05 49.43 3.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.983 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.98 37.42 44.86 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 5.2 mmmt -134.59 133.64 40.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.768 HG13 ' CG1' ' A' ' 35' ' ' VAL . 14.3 t -92.31 137.33 22.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.293 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.587 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.7 m-85 -83.46 58.16 4.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.1 OUTLIER -134.89 97.19 3.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.98 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.443 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -117.49 130.56 56.52 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 37.1 m -105.35 117.05 33.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.442 1.089 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.884 HD21 HG23 ' A' ' 112' ' ' THR . 0.4 OUTLIER -98.04 165.29 11.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.503 ' O ' ' CZ ' ' A' ' 129' ' ' TYR . . . -163.82 131.22 2.39 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 111.011 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.5 tp -143.18 135.07 26.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 0.789 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -139.7 123.59 18.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -78.31 139.91 38.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 109.266 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -83.22 -33.05 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.7 t -82.73 -62.45 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.514 1.133 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmtm -62.74 -18.22 62.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.08 26.32 41.87 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.467 1.104 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -99.52 125.2 45.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 0.772 . . . . 0.0 110.38 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.407 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.0 m-20 -98.02 130.5 44.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 33.6 m -129.04 156.0 44.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.023 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 34.2 p90 -146.45 128.78 15.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.142 . . . . 0.0 111.003 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.628 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 76.4 t80 -115.5 115.92 27.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.998 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -100.98 133.63 45.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.11 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.628 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.5 OUTLIER -117.21 137.97 52.01 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.51 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 39.7 mt-30 -159.84 124.41 3.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 110.307 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.627 ' CD2' HD12 ' A' ' 36' ' ' LEU . 1.4 tp -110.84 102.22 10.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.596 HD22 HG22 ' A' ' 23' ' ' VAL . 16.4 mt -77.99 130.2 36.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.567 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 8.5 pt-20 -114.1 143.8 44.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 110.301 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 68' ' ' ASP . 32.7 t70 -59.17 146.71 37.97 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 67' ' ' ASP . 4.2 m-20 -37.91 -44.45 0.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.34 -73.54 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.481 1.113 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 172.18 88.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.095 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -134.85 -52.33 0.79 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.095 . . . . 0.0 109.287 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -146.92 148.29 31.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.29 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 9.9 m-85 -129.13 165.52 21.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.448 ' CD1' ' HG3' ' A' ' 93' ' ' GLN . 15.7 m-90 -132.82 168.34 18.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 107.958 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.735 HG21 ' CD2' ' A' ' 103' ' ' HIS . 5.4 mm -130.07 101.76 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -89.9 127.47 36.02 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.464 1.102 . . . . 0.0 111.031 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 3.6 mtm180 -138.11 114.42 10.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.301 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -105.33 155.2 19.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.153 . . . . 0.0 110.03 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . 0.571 ' CD1' ' HB2' ' A' ' 88' ' ' SER . 13.5 p90 -168.13 151.88 6.0 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 107.953 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 160.59 -163.62 34.15 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 17.8 mtp180 -94.47 161.61 14.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 0.751 . . . . 0.0 110.318 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.6 t -91.82 137.2 22.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.78 53.12 47.89 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 2.3 p -143.01 178.13 7.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 0.765 . . . . 0.0 110.385 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -98.84 -18.55 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 75.6 mt -67.69 121.48 16.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -133.03 106.2 0.62 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.571 ' HB2' ' CD1' ' A' ' 79' ' ' TRP . 1.3 m -109.76 124.76 51.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -137.12 175.02 9.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 109.273 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.428 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -150.7 136.32 18.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.77 108.35 10.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.343 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -106.47 154.57 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.11 . . . . 0.0 110.272 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.448 ' HG3' ' CD1' ' A' ' 74' ' ' TRP . 10.0 mt-30 -102.21 119.69 39.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 18.6 mmt -91.51 140.67 25.41 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 111.012 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.2 Cg_endo -75.0 -49.43 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.14 167.24 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.032 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.558 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.5 tttt -63.54 -41.59 98.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -60.45 -56.36 22.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 110.29 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 22.8 m-20 -47.22 -28.06 1.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 109.342 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.597 ' HB1' HD11 ' A' ' 64' ' ' LEU . . . -77.6 -47.57 19.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.266 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.428 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.5 mt -59.62 -49.78 82.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -51.89 -46.76 64.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.255 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.824 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.66 -56.96 15.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 109.612 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.551 ' CD2' ' CD2' ' A' ' 43' ' ' PHE . 75.1 t80 -60.37 -28.14 67.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.55 -42.23 43.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 111.004 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.29 -47.99 16.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.824 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.0 mm? -46.56 -57.26 4.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.598 ' HB2' ' CD1' ' A' ' 62' ' ' LEU . 71.9 t80 -55.12 -18.44 5.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.536 1.148 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.425 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 24.4 tt0 -95.22 -20.05 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.5 pt-20 -70.12 -27.17 64.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.594 ' HG3' ' CD2' ' A' ' 60' ' ' TYR . 18.5 mmtt -89.4 -65.02 1.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.884 HG23 HD21 ' A' ' 47' ' ' LEU . 23.2 p -62.84 -41.9 99.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 110.437 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.425 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 104.45 -17.77 46.2 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.502 1.127 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.418 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.1 m-80 -102.56 163.99 11.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.876 ' HB3' ' CB ' ' A' ' 118' ' ' SER . . . -71.32 155.22 40.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.439 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 1.4 t-105 -64.04 -61.18 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -62.96 -50.94 68.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.876 ' CB ' ' HB3' ' A' ' 115' ' ' ALA . 50.3 m -38.77 110.38 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.994 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 5.7 mttp -71.05 -166.62 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 56.67 101.82 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.318 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -104.78 126.66 52.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 111.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.3 m -110.81 119.05 37.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.411 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.48 92.86 0.46 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -89.16 167.98 16.54 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.503 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.97 120.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.561 1.821 . . . . 0.0 111.041 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.503 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 20.7 mtmt 87.92 -35.47 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -51.32 133.68 28.73 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.686 ' O ' HG22 ' A' ' 112' ' ' THR . 86.7 m-85 -78.14 160.16 28.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 111.04 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.603 ' HE1' HD23 ' A' ' 131' ' ' LEU . 6.4 p90 -137.71 163.91 44.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.953 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 118.29 5.22 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.603 HD23 ' HE1' ' A' ' 129' ' ' TYR . 68.0 mt -63.99 -55.94 18.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -105.34 127.03 52.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 134' ' ' SER . 2.7 mp -119.73 161.65 18.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.43 ' N ' HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -159.86 134.98 8.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.535 1.147 . . . . 0.0 109.984 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -110.58 135.85 13.17 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.469 1.105 . . . . 0.0 110.981 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -170.57 0.8 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.505 1.792 . . . . 0.0 111.043 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -153.63 133.22 12.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 29.6 t -50.28 104.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.427 1.079 . . . . 0.0 111.044 179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -165.73 157.89 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.588 0.817 . . . . 0.0 110.01 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.71 169.41 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.27 150.2 20.87 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.474 1.109 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 p -145.26 161.88 38.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.4 p -145.15 156.35 43.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.45 140.67 7.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.447 1.092 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 mttt -131.26 171.57 13.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.484 0.755 . . . . 0.0 109.269 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.2 m -70.9 171.1 11.29 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -45.24 167.92 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.103 . . . . 0.0 110.333 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.0 pttp -131.8 157.13 44.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? -145.99 116.35 7.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 2.8 mtt -65.36 106.61 1.41 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.79 149.07 31.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.136 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.72 102.82 14.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.7 p -88.9 173.64 8.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.381 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 tp -158.19 73.56 0.67 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.281 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -144.96 167.4 22.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.532 1.145 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 127.41 128.14 3.09 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.47 -100.44 1.99 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.908 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -76.5 165.12 25.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -88.95 140.84 29.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.678 HG22 HD22 ' A' ' 65' ' ' LEU . 24.7 t -100.67 148.48 6.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.484 ' CG ' ' CZ ' ' A' ' 76' ' ' PHE . 1.6 p-10 -77.94 144.02 67.32 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -21.22 16.07 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.008 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.31 -26.43 68.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' OD2' ' A' ' 24' ' ' ASP . 83.6 p -78.82 -25.82 44.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.975 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.44 18.99 79.59 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.508 1.13 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 65' ' ' LEU . 4.4 mt -121.12 6.32 10.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 0.776 . . . . 0.0 109.225 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -62.11 -20.82 64.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.8 12.06 12.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.571 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.3 m -128.31 -59.85 1.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.989 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.77 172.36 6.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.547 ' CE1' ' HA ' ' A' ' 68' ' ' ASP . 1.4 p-80 -143.31 159.59 42.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.645 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.82 HG21 ' HB3' ' A' ' 21' ' ' ALA . 23.8 t -51.51 129.78 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.518 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.5 OUTLIER -69.6 121.95 18.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 36' ' ' LEU . 2.1 mt-10 -108.41 141.7 39.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.472 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -152.26 150.43 29.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.76 53.19 2.46 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 48.96 37.3 22.1 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -131.52 164.89 24.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.908 HG11 ' HB2' ' A' ' 21' ' ' ALA . 56.1 t -116.73 139.28 44.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 109.349 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 6.6 m-85 -90.44 50.48 1.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -127.45 97.65 4.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.012 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.42 140.95 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.2 m -121.14 97.34 5.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.823 HD21 ' CE2' ' A' ' 108' ' ' TYR . 21.6 mt -83.33 167.99 17.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.832 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -167.6 145.55 9.86 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.478 1.111 . . . . 0.0 110.967 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.516 ' HA ' ' CE2' ' A' ' 129' ' ' TYR . 1.4 tp -142.48 148.84 38.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 56' ' ' THR . 62.6 t -142.45 136.87 28.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 0.0 109.325 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -91.04 134.39 34.54 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.2 tt -85.61 -33.1 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.2 t -82.13 -60.47 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.55 1.156 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -66.49 -14.49 62.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.45 28.61 36.77 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.514 1.134 . . . . 0.0 110.979 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.511 ' O ' HG13 ' A' ' 50' ' ' VAL . 8.3 p -94.98 165.17 12.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 110.443 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.728 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.2 m-20 -119.52 137.74 53.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.0 m -133.19 141.86 48.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.01 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 1.8 p90 -143.34 143.69 31.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 69.8 t80 -138.76 143.7 39.1 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.7 mmmp? -126.25 141.16 52.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 1.158 . . . . 0.0 109.316 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.704 HD22 ' HB2' ' A' ' 108' ' ' TYR . 4.1 tp -137.82 115.58 11.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -141.01 122.88 15.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.514 ' HB2' ' CD2' ' A' ' 104' ' ' PHE . 3.1 tt -93.82 99.66 11.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.712 HD12 HD12 ' A' ' 29' ' ' LEU . 50.3 mt -78.52 137.19 37.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.615 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -132.23 156.69 46.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' O ' ' OE2' ' A' ' 66' ' ' GLU . 0.5 OUTLIER -70.91 129.68 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.547 ' HA ' ' CE1' ' A' ' 34' ' ' HIS . 4.1 t0 -53.69 -27.36 27.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.4 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.1 mmmp? -102.28 16.29 26.64 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 69' ' ' LYS . 1.4 mt-10 45.96 95.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -159.02 -66.17 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -112.35 137.58 50.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 110.301 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.615 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 79.0 m-85 -120.69 154.37 35.64 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 29.6 m-90 -130.3 162.46 28.98 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 108.024 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.696 HG23 ' CZ ' ' A' ' 77' ' ' ARG . 3.7 mm -123.53 97.74 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.499 ' O ' ' NH1' ' A' ' 77' ' ' ARG . 85.3 t80 -89.69 108.99 20.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.696 ' CZ ' HG23 ' A' ' 75' ' ' ILE . 0.0 OUTLIER -120.0 121.43 38.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 110.262 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -116.8 142.98 46.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 109.995 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 39.2 p90 -147.55 -170.06 3.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 114.51 150.78 10.17 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.531 ' HD2' HD12 ' A' ' 86' ' ' ILE . 91.8 mtt180 -75.52 177.08 6.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 0.777 . . . . 0.0 110.261 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.728 HG13 ' CB ' ' A' ' 57' ' ' ASN . 1.3 m -117.0 132.95 65.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 80.64 6.44 89.35 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 71.6 p -110.31 -161.21 0.74 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 110.398 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.8 m -101.07 -15.13 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.531 HD12 ' HD2' ' A' ' 81' ' ' ARG . 47.4 mt -68.9 152.26 9.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 154.01 121.08 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.524 1.14 . . . . 0.0 111.04 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.05 170.7 11.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 0.747 . . . . 0.0 110.0 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -137.18 -179.75 5.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -147.99 136.92 21.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.308 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.0 tp -133.25 106.97 7.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.264 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -122.3 127.81 50.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.256 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -78.76 118.7 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.407 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.5 mmt -80.31 145.74 60.58 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -49.49 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 0.0 111.015 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -121.09 158.38 28.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.999 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.574 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.3 OUTLIER -57.75 -45.34 86.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.344 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -59.65 -55.5 33.57 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.407 ' O ' ' SD ' ' A' ' 94' ' ' MET . 0.9 OUTLIER -46.12 -27.15 0.89 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.98 -48.62 13.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.29 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 105' ' ' MET . 3.8 mt -57.26 -50.4 76.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 106' ' ' LYS . 5.3 mt-10 -50.43 -46.73 56.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.54 1.15 . . . . 0.0 110.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.856 ' O ' HD23 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -61.16 -54.15 48.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.576 1.172 . . . . 0.0 109.634 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 59.5 t80 -62.02 -25.75 67.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.981 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.432 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -84.67 -39.93 18.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 -179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 102' ' ' GLU . 0.1 OUTLIER -75.69 -46.86 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.361 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.856 HD23 ' O ' ' A' ' 103' ' ' HIS . 4.3 mm? -48.2 -61.25 2.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.823 ' CE2' HD21 ' A' ' 47' ' ' LEU . 52.9 t80 -58.55 -13.02 4.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 110.957 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.69 -18.96 20.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 110.309 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 4.4 pt-20 -86.9 -30.07 21.67 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.565 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 9.1 mmtt -81.78 -66.45 0.89 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.277 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.525 ' CG2' HD13 ' A' ' 47' ' ' LEU . 24.1 p -67.67 -22.33 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.126 . . . . 0.0 110.411 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.66 -6.7 60.74 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.482 1.114 . . . . 0.0 111.038 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -112.78 143.97 43.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 0.775 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.79 154.65 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.499 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.2 t-105 -65.54 -48.01 73.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 107.995 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.65 81.5 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.604 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.52 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.2 OUTLIER -143.49 170.91 14.92 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 109.997 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 120' ' ' ASN . 27.0 mtmt -54.79 -171.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 119' ' ' LYS . 78.8 m-20 -40.19 151.06 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.449 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 36.3 t80 -89.35 135.58 33.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 45.0 m -100.4 109.75 21.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.436 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.422 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 1.0 OUTLIER -67.67 94.91 0.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.287 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.446 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.0 m-85 -90.45 167.46 16.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 111.04 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 123.84 8.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.468 1.772 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 7.8 mttt 87.49 -38.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 109.266 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.446 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 46.3 mmtt -55.56 128.88 36.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -71.66 148.72 46.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.516 ' CE2' ' HA ' ' A' ' 49' ' ' LEU . 26.1 p90 -119.95 164.48 22.04 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 121.69 6.71 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.528 1.804 . . . . 0.0 110.982 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.832 HD21 ' HA3' ' A' ' 48' ' ' GLY . 64.7 mt -74.13 -69.7 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 0.0 109.285 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -68.39 110.46 4.13 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 45.9 mm -86.12 153.51 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.57 1.169 . . . . 0.0 109.299 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.53 160.8 39.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 110.022 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -77.15 134.72 15.28 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.491 1.119 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 147.32 33.54 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.477 1.777 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.7 t -130.06 142.22 50.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 42.3 m -160.39 122.66 3.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 110.022 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.76 126.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.767 . . . . 0.0 109.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.92 155.43 12.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 110.019 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -130.15 177.21 18.36 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -140.15 168.84 18.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 0.786 . . . . 0.0 110.008 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.4 p 178.09 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.005 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.55 -74.95 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.5 1.125 . . . . 0.0 111.031 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 64.83 111.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.346 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.46 -61.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -103.8 170.14 8.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.72 99.27 6.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 176.33 136.36 0.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.93 145.96 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.0 ttmt -168.06 94.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -179.99 121.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.2 113.29 14.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.443 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.95 174.11 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.79 142.84 44.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.297 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.89 -171.18 14.7 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.474 1.108 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 131.58 -163.77 23.64 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.833 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -91.37 164.45 13.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.483 0.755 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.32 143.95 26.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.674 HG22 HD22 ' A' ' 65' ' ' LEU . 42.3 t -93.21 154.07 3.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.76 143.49 67.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.427 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.01 -26.21 11.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.515 1.798 . . . . 0.0 110.98 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -16.07 62.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 52.9 p -75.35 -32.12 60.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.107 . . . . 0.0 110.006 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.19 8.56 87.5 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.458 1.099 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 65' ' ' LEU . 3.4 mt -118.84 5.21 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 4.8 pt-20 -66.43 -18.4 65.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.538 1.149 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.19 11.85 12.45 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 109.611 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -131.56 -57.01 1.0 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.99 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' LEU . . . -105.36 179.1 4.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.583 ' HA ' HG21 ' A' ' 23' ' ' VAL . 17.7 p-80 -145.25 163.54 34.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.113 . . . . 0.0 109.583 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.609 HG11 HG13 ' A' ' 42' ' ' VAL . 88.2 t -53.19 134.18 15.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.702 HD12 HD13 ' A' ' 64' ' ' LEU . 0.8 OUTLIER -76.44 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.326 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.515 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.1 mt-10 -109.78 147.61 32.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.252 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.446 ' O ' ' N ' ' A' ' 41' ' ' LYS . 1.0 OUTLIER -157.32 147.73 21.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.299 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 40.72 51.02 4.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.49 1.119 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.41 35.92 36.94 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.2 OUTLIER -131.78 161.31 33.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 0.766 . . . . 0.0 109.356 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.833 HG11 ' HB2' ' A' ' 21' ' ' ALA . 49.7 t -112.01 143.61 21.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.5 m-85 -92.02 49.59 1.55 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.979 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.0 t -130.02 100.3 5.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -121.19 149.58 42.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 m -123.88 98.03 5.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 110.386 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.83 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.84 152.84 26.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.617 ' O ' ' CE2' ' A' ' 129' ' ' TYR . . . -159.16 135.38 4.16 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.505 ' O ' ' N ' ' A' ' 58' ' ' SER . 1.0 OUTLIER -143.43 133.17 23.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 0.748 . . . . 0.0 109.285 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.476 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -140.96 136.5 34.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.296 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.583 ' HB2' HG22 ' A' ' 56' ' ' THR . 1.7 t0 -93.33 138.26 31.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.298 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.3 tt -89.52 -32.77 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.556 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.0 m -80.24 -54.15 11.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.556 ' N ' HG23 ' A' ' 53' ' ' VAL . 3.9 mttt -69.77 -8.73 50.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.0 31.86 40.91 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.513 1.133 . . . . 0.0 111.028 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.583 HG22 ' HB2' ' A' ' 51' ' ' ASP . 13.3 t -108.89 149.78 28.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 0.761 . . . . 0.0 110.372 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.807 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.0 m120 -124.74 138.72 54.27 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 14.7 m -136.72 143.03 43.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.993 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.598 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.1 p90 -140.94 128.96 21.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.102 . . . . 0.0 110.996 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.539 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 65.9 t80 -120.69 156.72 31.16 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -139.52 141.08 37.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -137.6 135.76 36.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.444 1.09 . . . . 0.0 109.285 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -153.55 128.67 9.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 110.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.702 HD13 HD12 ' A' ' 36' ' ' LEU . 1.1 tt -105.31 99.73 9.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.336 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.854 HD12 HD12 ' A' ' 29' ' ' LEU . 21.6 mt -78.62 154.09 30.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.245 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.497 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 19.6 tt0 -137.99 124.01 20.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.308 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.464 ' CB ' ' HB2' ' A' ' 72' ' ' ARG . 1.2 t70 -63.65 135.67 56.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.537 ' HB2' ' CE1' ' A' ' 34' ' ' HIS . 44.7 t0 -110.69 57.88 0.62 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 1.095 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -141.27 -67.93 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -118.41 -71.96 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.304 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 179.09 94.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.596 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.8 OUTLIER -151.85 151.85 31.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.337 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.596 ' CD1' ' C ' ' A' ' 72' ' ' ARG . 32.5 m-85 -151.39 148.82 28.58 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.53 ' CH2' ' HB3' ' A' ' 72' ' ' ARG . 17.7 m-90 -126.49 169.93 12.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 108.009 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.553 HG21 ' CD2' ' A' ' 103' ' ' HIS . 7.7 mm -124.06 103.77 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.511 1.132 . . . . 0.0 109.301 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -90.13 123.17 33.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 1.4 mtt85 -136.76 115.72 12.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.095 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.51 142.47 46.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.121 . . . . 0.0 110.023 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 28.2 p90 -137.12 -169.74 2.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 108.023 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.598 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 138.91 128.98 2.62 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 57' ' ' ASN . 1.0 OUTLIER -83.48 112.98 20.46 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 0.758 . . . . 0.0 110.324 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.807 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -64.07 115.75 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.34 -1.88 29.54 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 32.2 p -122.36 -165.07 1.23 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 0.77 . . . . 0.0 110.399 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 3.5 m -100.33 -16.13 7.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.475 HG22 ' HA2' ' A' ' 80' ' ' GLY . 81.7 mt -60.08 147.17 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 155.33 133.59 1.73 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.129 . . . . 0.0 110.955 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.49 178.53 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 0.757 . . . . 0.0 110.014 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -138.68 163.22 32.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.322 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.32 140.3 35.61 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 35.3 tp -131.85 105.98 7.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -113.22 128.75 56.57 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.462 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 29.9 tt0 -75.36 144.85 42.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 110.287 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.42 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 9.1 mmt -109.02 149.66 39.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -54.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.781 . . . . 0.0 111.017 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.72 153.74 40.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.57 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 63.3 tttt -48.52 -45.64 37.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 109.349 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -56.98 -59.11 5.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.42 ' O ' ' SD ' ' A' ' 94' ' ' MET . 14.3 m-20 -44.96 -27.65 0.57 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.04 -49.22 13.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.453 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 5.0 mt -56.34 -49.27 77.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.122 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -52.19 -48.07 65.22 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.822 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -59.21 -57.16 14.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.619 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 79.5 t80 -60.56 -22.75 64.01 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 0.0 111.004 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -85.35 -41.54 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 110.989 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 21.0 tttt -76.68 -47.4 22.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.822 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.3 mm? -48.5 -60.49 2.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.606 ' HB2' HD22 ' A' ' 62' ' ' LEU . 82.3 t80 -59.09 -12.5 5.0 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 13.5 tt0 -95.72 -23.19 17.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.434 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -75.05 -31.91 61.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.574 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 15.5 mmtt -79.62 -58.1 3.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.83 HG23 HD21 ' A' ' 47' ' ' LEU . 42.1 p -67.51 -45.73 74.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 110.381 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 105.87 -6.12 40.39 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.054 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 2.5 m-80 -116.61 167.87 10.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 0.793 . . . . 0.0 109.331 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -76.32 141.24 41.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.138 . . . . 0.0 109.349 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -54.26 -54.88 34.05 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.85 57.44 2.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.573 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 5.5 t -95.86 171.75 8.45 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -60.92 2.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -136.45 165.32 26.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.3 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -95.37 160.93 14.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 67.3 m -145.22 110.07 5.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.44 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.517 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.0 OUTLIER -67.85 121.74 16.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.479 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 1.3 m-85 -122.42 155.49 62.17 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.538 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -74.98 129.21 12.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.475 1.776 . . . . 0.0 110.965 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.538 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 5.5 mttt 90.04 -31.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.341 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.603 ' O ' ' CD1' ' A' ' 128' ' ' PHE . 39.4 mmtt -63.03 -141.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.603 ' CD1' ' O ' ' A' ' 127' ' ' LYS . 80.4 m-85 -160.1 164.59 32.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.617 ' CE2' ' O ' ' A' ' 48' ' ' GLY . 30.7 p90 -142.98 163.86 35.46 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.48 5.28 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.609 HD21 ' HA3' ' A' ' 48' ' ' GLY . 72.1 mt -72.26 -79.46 0.07 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 109.265 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -81.9 111.23 17.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 110.291 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.87 135.58 27.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 11.4 t -165.69 139.97 4.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.501 1.125 . . . . 0.0 109.979 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -144.62 159.62 27.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 178.05 7.79 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.506 1.793 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 49.5 m -125.05 168.36 13.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.987 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.3 167.28 13.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m 67.24 146.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 0.77 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.7 p -177.45 162.83 1.91 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 109.972 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.57 177.07 25.13 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.138 . . . . 0.0 110.995 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.5 p -163.84 159.59 21.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.97 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.01 144.8 37.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.45 146.69 13.25 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.496 1.123 . . . . 0.0 111.049 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.71 146.74 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 0.748 . . . . 0.0 109.346 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.1 p -147.15 125.13 12.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.998 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 65.1 148.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.33 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -142.56 158.23 43.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.253 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.03 141.74 32.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 24.1 ptt? -175.46 150.11 1.07 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.8 pttt -160.08 149.24 17.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.49 HD22 HD21 ' A' ' 17' ' ' LEU . 0.3 OUTLIER -179.11 104.31 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 44.2 p -76.95 -43.72 34.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 110.371 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD21 HD22 ' A' ' 15' ' ' LEU . 72.7 mt 58.99 79.17 0.23 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.11 75.24 4.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.92 135.03 3.65 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.503 1.127 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.13 -120.07 0.97 Allowed Glycine 0 CA--C 1.531 1.042 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.701 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -78.94 165.18 23.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 0.776 . . . . 0.0 109.301 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.78 138.8 31.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.767 HG22 HD22 ' A' ' 65' ' ' LEU . 30.1 t -93.21 156.83 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.447 1.092 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -86.88 148.72 46.31 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.415 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -75.0 -18.21 18.92 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.502 1.791 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.78 -25.14 63.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -76.21 -30.81 58.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.42 1.075 . . . . 0.0 110.014 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.577 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.75 -19.64 32.23 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.737 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -92.23 15.47 13.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 0.75 . . . . 0.0 109.288 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 2.8 pt-20 -61.2 -30.33 70.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.266 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.27 6.77 11.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.135 . . . . 0.0 109.614 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.7 m -113.94 -55.76 2.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.619 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -109.63 -175.92 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.503 ' HA ' HG21 ' A' ' 23' ' ' VAL . 1.6 p-80 -150.2 159.63 44.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.626 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.603 HG21 ' HB3' ' A' ' 21' ' ' ALA . 61.5 t -53.17 134.21 15.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.748 HD12 ' H ' ' A' ' 37' ' ' GLU . 32.1 tp -66.91 155.71 37.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.748 ' H ' HD12 ' A' ' 36' ' ' LEU . 2.4 mt-10 -144.08 132.66 22.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 110.342 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.5 tttp -148.43 152.2 36.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 41.47 47.78 4.71 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.99 40.93 51.55 Favored Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.52 168.59 18.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 0.772 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.701 HG11 ' HB2' ' A' ' 21' ' ' ALA . 37.3 t -118.73 136.36 56.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.662 ' CD2' HD23 ' A' ' 36' ' ' LEU . 6.3 m-85 -84.97 60.2 6.09 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.549 1.155 . . . . 0.0 111.054 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.524 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -137.52 97.1 3.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.145 . . . . 0.0 110.044 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.604 ' HB1' ' HE1' ' A' ' 108' ' ' TYR . . . -115.3 136.23 53.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 109.261 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.5 m -114.53 109.5 18.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.423 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.937 HD21 HG23 ' A' ' 112' ' ' THR . 0.5 OUTLIER -91.93 157.11 17.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.816 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.78 133.52 3.65 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.453 1.096 . . . . 0.0 110.977 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.1 tp -141.34 138.25 32.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.747 . . . . 0.0 109.248 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.473 ' HA ' ' O ' ' A' ' 56' ' ' THR . 0.2 OUTLIER -145.0 126.05 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.362 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.402 ' O ' ' HA2' ' A' ' 55' ' ' GLY . 0.2 OUTLIER -92.54 139.99 30.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.404 HG22 ' H ' ' A' ' 52' ' ' ILE . 0.8 OUTLIER -83.21 -34.28 10.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 109.259 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.535 HG23 ' N ' ' A' ' 54' ' ' LYS . 24.1 m -81.22 -53.46 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.479 1.112 . . . . 0.0 109.25 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.535 ' N ' HG23 ' A' ' 53' ' ' VAL . 5.3 mtmm -71.59 -19.82 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.132 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 51' ' ' ASP . . . 53.33 37.86 56.08 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 11.4 t -114.06 117.03 30.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.404 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 82' ' ' VAL . 5.4 m-20 -98.23 111.94 24.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.276 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.479 ' N ' ' O ' ' A' ' 49' ' ' LEU . 5.8 m -110.01 163.26 13.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.975 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.502 ' CD1' ' O ' ' A' ' 80' ' ' GLY . 29.2 p90 -151.46 126.36 9.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 111.016 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.596 ' CE2' ' HG ' ' A' ' 62' ' ' LEU . 89.0 t80 -115.35 112.56 22.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 111.047 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.23 142.17 27.97 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 109.28 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.596 ' HG ' ' CE2' ' A' ' 60' ' ' TYR . 0.8 OUTLIER -126.82 135.68 51.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.509 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 43.9 mt-30 -159.31 127.98 5.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.649 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.8 tt -111.76 100.42 8.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.767 HD22 HG22 ' A' ' 23' ' ' VAL . 8.3 mt -78.12 137.38 38.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.652 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 10.1 pt-20 -125.33 131.45 53.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.281 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 70' ' ' GLU . 3.4 t70 -70.96 123.73 22.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -79.09 -43.18 24.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -76.39 -75.1 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.447 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 6.3 mm-40 -78.49 -166.29 0.84 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.438 1.086 . . . . 0.0 110.339 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -125.21 81.19 1.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.469 ' NH2' ' NE2' ' A' ' 93' ' ' GLN . 4.6 ttt180 -150.01 120.1 7.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 38.4 m-85 -106.75 150.74 25.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 111.052 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.409 ' HA ' ' O ' ' A' ' 92' ' ' GLU . 31.1 m-90 -122.78 153.48 39.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 108.021 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.637 HG21 ' CD2' ' A' ' 103' ' ' HIS . 6.3 mm -114.67 98.62 7.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -89.88 121.57 32.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 111.051 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -131.79 114.24 14.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.321 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.87 148.62 27.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 110.014 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 17.6 p90 -156.97 165.57 35.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.042 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' TYR . . . 138.67 165.36 10.25 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.455 1.097 . . . . 0.0 111.017 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.0 OUTLIER -66.16 179.81 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 0.744 . . . . 0.0 110.297 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 57' ' ' ASN . 76.4 t -109.29 -62.22 2.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -88.46 19.1 37.98 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.969 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.432 ' HB ' ' CB ' ' A' ' 81' ' ' ARG . 0.7 OUTLIER -122.19 -179.18 4.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.374 -179.963 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 5.5 m -86.54 -34.78 8.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.467 1.105 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 96.7 mt -41.06 119.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.11 . . . . 0.0 109.269 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -169.49 119.81 0.84 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.494 1.121 . . . . 0.0 110.956 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -151.74 163.59 38.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 0.768 . . . . 0.0 109.986 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -138.35 -176.98 4.64 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.349 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.403 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.8 OUTLIER -151.43 141.7 22.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.305 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 90' ' ' LYS . 14.9 tp -136.75 115.45 12.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 109.365 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 21.0 mt-10 -123.55 144.64 49.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.298 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.469 ' NE2' ' NH2' ' A' ' 72' ' ' ARG . 0.7 OUTLIER -90.77 131.28 36.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.427 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 12.3 mmt -97.94 146.59 31.74 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 111.035 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 94' ' ' MET . 18.4 Cg_endo -74.99 -53.56 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.489 1.784 . . . . 0.0 111.037 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.3 t -121.88 163.76 18.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 109.998 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.1 OUTLIER -57.16 -44.07 83.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.1 mt-10 -58.07 -61.85 2.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.427 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.4 m-20 -42.25 -28.44 0.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.322 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -78.54 -54.08 6.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.458 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 3.8 mt -54.29 -46.97 69.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.516 1.135 . . . . 0.0 109.264 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -53.43 -48.57 68.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.833 ' CE1' HD21 ' A' ' 107' ' ' LEU . 1.0 OUTLIER -59.72 -56.93 15.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.601 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.649 ' CB ' HD12 ' A' ' 64' ' ' LEU . 75.8 t80 -59.58 -28.85 67.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.133 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.424 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -76.19 -43.04 44.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 111.011 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 109' ' ' GLU . 1.8 ttmt -77.0 -48.12 18.82 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.833 HD21 ' CE1' ' A' ' 103' ' ' HIS . 3.9 mm? -46.22 -57.17 4.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.604 ' HE1' ' HB1' ' A' ' 45' ' ' ALA . 65.9 t80 -55.4 -18.39 6.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.447 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 33.4 tt0 -95.52 -19.52 19.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.102 . . . . 0.0 110.274 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.694 ' OE1' HD13 ' A' ' 107' ' ' LEU . 4.1 pt-20 -68.15 -27.09 66.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 110.281 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 18.8 mmtt -90.15 -73.96 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.312 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.937 HG23 HD21 ' A' ' 47' ' ' LEU . 57.0 p -54.66 -35.99 64.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.447 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 96.14 -13.58 65.68 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.521 1.138 . . . . 0.0 110.995 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.433 ' O ' ' CB ' ' A' ' 109' ' ' GLU . 2.6 m-80 -102.2 163.91 11.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.574 0.808 . . . . 0.0 109.302 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.608 ' HB3' ' HB3' ' A' ' 118' ' ' SER . . . -74.09 154.96 38.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.512 ' CZ3' ' CE2' ' A' ' 104' ' ' PHE . 2.3 t-105 -61.2 -55.45 31.98 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 107.97 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -100.58 59.52 0.97 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.608 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.608 ' HB3' ' HB3' ' A' ' 115' ' ' ALA . 10.1 p -98.6 -157.13 0.58 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 110.024 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 120' ' ' ASN . 1.5 mmtt -135.84 128.58 30.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.13 . . . . 0.0 109.31 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 119' ' ' LYS . 32.6 m120 62.14 133.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -109.35 116.75 32.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.3 m -98.19 116.02 29.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.79 93.34 0.73 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 109.282 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -84.71 167.78 24.76 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 111.016 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.1 Cg_endo -75.07 122.94 7.49 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.471 1.774 . . . . 0.0 111.02 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.565 ' O ' HD13 ' A' ' 49' ' ' LEU . 23.9 mtmt 86.82 -41.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.539 1.149 . . . . 0.0 109.345 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -46.95 137.79 7.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.585 ' CD1' ' HB3' ' A' ' 111' ' ' LYS . 68.7 m-85 -81.78 164.55 21.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.692 ' CE1' HD23 ' A' ' 131' ' ' LEU . 23.4 p90 -141.24 163.6 40.89 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.951 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 113.22 3.74 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.476 1.777 . . . . 0.0 110.991 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.816 HD21 ' HA3' ' A' ' 48' ' ' GLY . 80.6 mt -60.37 -75.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.04 96.51 5.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.583 1.177 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 33.1 mm -63.75 134.69 28.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.2 t -176.94 102.44 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.021 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 164.94 134.27 1.63 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.494 1.121 . . . . 0.0 111.035 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -177.73 3.68 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 19.4 p -128.18 157.61 40.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.998 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 7.5 t -172.09 -60.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.978 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -174.6 166.91 3.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 109.989 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.0 p -177.68 169.39 2.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.9 -167.41 11.72 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.509 1.131 . . . . 0.0 110.962 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.99 87.83 2.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 0.766 . . . . 0.0 109.993 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -179.01 169.75 1.52 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.003 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.68 170.3 34.1 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.48 1.112 . . . . 0.0 111.01 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 tttm -92.31 175.88 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 0.753 . . . . 0.0 109.304 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -143.3 169.35 17.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.056 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 51.93 75.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -122.96 134.5 54.34 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.04 92.68 2.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.242 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -166.09 163.72 18.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 110.964 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -94.41 -69.57 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 67.74 136.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 65.3 p -127.53 117.85 22.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.426 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 17' ' ' LEU . 12.8 mt -129.42 178.96 6.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -130.47 166.16 21.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 101.2 156.28 26.99 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 138.57 -159.17 25.27 Favored Glycine 0 CA--C 1.53 0.972 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.818 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -73.94 165.37 25.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -103.94 131.32 51.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.842 HG22 HD12 ' A' ' 65' ' ' LEU . 37.8 t -67.65 156.61 6.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.03 147.24 73.13 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.418 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.4 Cg_endo -74.93 -21.29 16.17 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.571 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 60.6 m-20 -73.17 -26.15 61.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.551 ' HB2' HD13 ' A' ' 91' ' ' LEU . 54.8 p -78.43 -27.63 46.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.045 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.544 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 79.64 -5.53 60.85 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.496 1.123 . . . . 0.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.96 HD23 HD23 ' A' ' 65' ' ' LEU . 0.2 OUTLIER -89.18 19.68 4.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 0.747 . . . . 0.0 109.331 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.0 pt-20 -85.19 -22.72 28.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 110.317 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 10.16 11.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.586 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.1 t -129.19 -60.99 1.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.04 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.959 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -103.45 -171.08 1.88 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.342 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.437 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 1.9 p-80 -153.8 157.61 39.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.6 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.766 HG11 ' HB3' ' A' ' 21' ' ' ALA . 71.0 t -51.05 131.56 11.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.138 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.7 HD12 ' H ' ' A' ' 37' ' ' GLU . 37.4 tp -68.72 155.8 39.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.7 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.9 mt-10 -141.02 127.71 20.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 110.304 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.4 tttp -143.79 146.07 32.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.308 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 48.21 41.32 23.01 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.448 1.093 . . . . 0.0 111.011 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 58.02 39.27 91.72 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -134.19 164.85 26.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 0.742 . . . . 0.0 109.306 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.818 HG11 ' HB2' ' A' ' 21' ' ' ALA . 16.4 t -117.86 137.5 51.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.536 1.148 . . . . 0.0 109.267 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.584 ' CD2' HD23 ' A' ' 64' ' ' LEU . 4.5 m-85 -84.52 55.88 3.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.4 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.06 98.3 4.71 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 0.0 109.999 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.432 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -119.37 144.42 46.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 99.5 m -121.35 97.62 5.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.4 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.84 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.2 OUTLIER -81.19 149.29 29.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.842 ' HA3' HD11 ' A' ' 131' ' ' LEU . . . -157.27 130.56 2.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.699 HD13 ' O ' ' A' ' 126' ' ' LYS . 1.3 tp -127.33 147.93 50.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 0.767 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' OD1' ' A' ' 57' ' ' ASN . 96.7 t -144.96 121.3 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 130.51 38.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -88.75 -33.61 6.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.45 1.094 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 22.9 m -79.62 -54.08 11.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.549 ' N ' HG23 ' A' ' 53' ' ' VAL . 16.8 mmtt -68.94 -26.89 65.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 68.7 42.01 81.43 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.3 p -119.41 156.6 29.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 0.784 . . . . 0.0 110.359 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.435 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.4 m-20 -130.44 109.23 10.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 66.9 m -110.78 151.65 27.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 5.5 p90 -146.37 127.65 14.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.979 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.412 ' O ' ' N ' ' A' ' 47' ' ' LEU . 49.0 t80 -119.67 129.03 54.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 111.024 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.417 ' NZ ' ' OE1' ' A' ' 63' ' ' GLN . 1.2 mmmp? -114.02 141.57 47.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.59 HD22 ' HB2' ' A' ' 108' ' ' TYR . 6.7 tp -139.34 131.85 28.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 109.274 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' OE1' ' NZ ' ' A' ' 61' ' ' LYS . 21.1 mt-30 -152.04 123.48 7.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.027 ' C ' HD13 ' A' ' 65' ' ' LEU . 1.4 tp -98.14 129.13 44.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.027 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -115.41 141.89 47.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.131 . . . . 0.0 109.334 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.666 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 13.4 pt-20 -119.88 138.47 53.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -61.2 120.01 9.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 69' ' ' LYS . 32.0 t0 -87.14 47.2 1.47 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 6.7 mttp -162.38 -54.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -117.76 -170.07 1.8 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.152 . . . . 0.0 110.306 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -94.11 57.16 2.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.093 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.438 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -118.06 151.66 37.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.265 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.666 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 38.3 m-85 -147.22 164.13 34.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.647 ' CG ' HD21 ' A' ' 29' ' ' LEU . 10.8 m-90 -131.37 171.28 13.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 107.991 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.613 HD11 ' O ' ' A' ' 100' ' ' ALA . 7.3 mm -140.24 104.69 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.531 1.145 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 26' ' ' ASP . 84.9 t80 -102.33 129.17 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.449 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -138.73 116.95 11.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.37 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -110.48 147.87 33.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.007 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 48.0 p90 -150.51 -175.62 5.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 107.968 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.745 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 116.66 156.79 10.74 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 111.028 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.435 ' HA ' ' O ' ' A' ' 57' ' ' ASN . 0.1 OUTLIER -62.87 158.65 18.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.759 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.6 t -73.83 -44.94 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -144.41 75.69 0.3 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.464 1.102 . . . . 0.0 111.021 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.411 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 2.9 m -144.69 -75.61 0.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 0.768 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 86' ' ' ILE . 1.1 t -173.59 -50.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.745 HG22 ' HA2' ' A' ' 80' ' ' GLY . 76.7 mt -54.0 134.3 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.244 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 174.35 102.43 0.16 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.17 170.46 16.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 0.737 . . . . 0.0 110.0 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.472 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 0.9 OUTLIER -139.02 142.65 38.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.325 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 4.6 tptt -122.93 140.32 53.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.269 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.551 HD13 ' HB2' ' A' ' 27' ' ' SER . 14.3 tp -134.94 136.6 42.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 55.8 mt-10 -139.33 145.21 38.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 110.341 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -91.91 118.79 31.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.466 ' CB ' ' HB2' ' A' ' 100' ' ' ALA . 21.6 mmm -85.19 147.52 47.76 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 111.02 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -58.26 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.528 1.804 . . . . 0.0 110.993 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.97 163.06 14.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.511 1.132 . . . . 0.0 110.0 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.578 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 1.0 OUTLIER -60.88 -44.44 97.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.32 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -59.55 -51.96 67.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.313 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -52.76 -28.37 21.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.613 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.91 -37.49 26.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 109.36 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.478 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 9.9 mt -72.14 -51.68 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -48.93 -54.19 16.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 110.355 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.594 ' HD2' HG21 ' A' ' 75' ' ' ILE . 7.7 t60 -57.17 -48.54 78.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.579 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.54 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 64.3 t80 -61.47 -40.33 94.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.439 1.087 . . . . 0.0 110.996 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -73.95 -32.18 63.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 110.984 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -79.36 -46.61 17.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.583 HD23 ' OE1' ' A' ' 110' ' ' GLU . 10.8 mt -50.88 -58.45 5.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.59 ' HB2' HD22 ' A' ' 62' ' ' LEU . 69.9 t80 -63.85 -9.56 15.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.026 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -94.58 -20.05 19.95 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.583 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.8 pt-20 -81.43 -41.27 22.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.316 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 17.9 mmtt -66.72 -64.04 0.94 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.265 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.84 ' CG2' HD21 ' A' ' 47' ' ' LEU . 23.0 p -68.72 -26.45 65.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 110.427 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.47 -11.0 57.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -106.91 147.3 29.98 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 0.758 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.504 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -62.43 145.92 52.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -54.27 -22.43 11.8 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 108.027 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -144.81 91.34 2.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.617 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 0.4 OUTLIER -153.29 83.58 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.524 1.14 . . . . 0.0 110.005 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp 43.73 -165.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -49.94 173.23 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -110.6 144.09 40.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -115.03 111.95 21.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.475 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.4 OUTLIER -67.48 93.35 0.34 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.4 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 3.6 m-85 -84.49 166.98 29.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.978 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.484 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.4 Cg_endo -75.03 123.22 7.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.518 1.799 . . . . 0.0 110.949 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.699 ' O ' HD13 ' A' ' 49' ' ' LEU . 21.5 mtmt 86.88 -43.52 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.516 1.135 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.434 ' O ' ' CD1' ' A' ' 49' ' ' LEU . 41.9 mmtm -46.43 138.54 5.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.602 ' O ' HG22 ' A' ' 112' ' ' THR . 77.0 m-85 -83.59 146.09 28.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 111.026 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.563 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 35.4 p90 -121.51 163.95 27.53 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 124.73 8.84 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.507 1.793 . . . . 0.0 110.995 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.842 HD11 ' HA3' ' A' ' 48' ' ' GLY . 34.0 mt -82.15 -52.08 7.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.95 69.51 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 3.3 mt -71.69 153.47 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -141.73 144.37 34.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 0.0 109.972 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 54.57 -157.23 6.73 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -179.81 5.36 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.438 1.757 . . . . 0.0 110.971 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -51.77 2.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 25.8 t -61.31 -53.49 56.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.145 . . . . 0.0 109.977 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 179.976 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.0 160.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 0.77 . . . . 0.0 110.012 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.53 169.68 0.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.01 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.32 -172.5 32.83 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.525 1.141 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.8 p -174.78 158.69 2.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.8 p -162.22 150.86 15.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.26 175.62 20.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.455 1.097 . . . . 0.0 110.955 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.54 118.39 13.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.547 0.792 . . . . 0.0 109.335 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.83 109.67 21.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.067 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -78.86 150.58 32.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -120.18 111.27 17.62 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.569 1.168 . . . . 0.0 109.253 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.1 116.85 5.29 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 110.3 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.17 143.73 25.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.987 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.59 169.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -85.28 161.04 19.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 53.1 p -64.8 151.02 46.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.49 138.94 51.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 109.279 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.33 67.3 0.51 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -41.99 111.98 0.37 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.436 1.085 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' O ' HG11 ' A' ' 42' ' ' VAL . . . -122.6 -63.19 0.21 Allowed Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.862 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -132.31 102.93 5.96 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 0.766 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -115.37 132.13 56.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.979 HG22 HD22 ' A' ' 65' ' ' LEU . 42.2 t -98.83 147.78 6.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.01 144.52 67.94 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.259 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.429 ' HA ' ' CG ' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.05 -25.0 12.19 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.532 1.806 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.18 -19.71 66.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.8 p -83.23 -27.81 29.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 110.029 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.587 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 84.85 -18.94 23.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.506 1.129 . . . . 0.0 110.982 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 ' CG ' ' HB3' ' A' ' 33' ' ' ALA . 0.8 OUTLIER -75.9 -16.89 59.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.452 0.736 . . . . 0.0 109.289 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 29' ' ' LEU . 2.2 pt-20 -35.12 -35.37 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.587 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -115.19 -17.53 11.36 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.138 . . . . 0.0 109.613 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.463 ' N ' ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -87.92 -72.56 0.52 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.007 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.63 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -109.78 150.03 28.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 109.306 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.862 ' HA ' HG21 ' A' ' 23' ' ' VAL . 3.6 p-80 -119.51 159.34 24.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.604 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.917 HG21 HG13 ' A' ' 42' ' ' VAL . 0.4 OUTLIER -48.44 157.26 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.3 OUTLIER -90.76 120.85 32.14 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.5 1.125 . . . . 0.0 109.324 179.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.601 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.1 mt-10 -109.77 138.72 45.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 110.32 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' LYS . 4.4 mtpm? -152.38 149.68 28.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.11 52.24 2.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 50.73 37.93 35.6 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.1 147.32 50.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 0.757 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.917 HG13 HG21 ' A' ' 35' ' ' VAL . 2.6 t -105.42 140.04 24.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.706 ' CD2' ' CE2' ' A' ' 104' ' ' PHE . 3.3 m-85 -86.94 33.83 0.67 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.12 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.768 ' H ' HG12 ' A' ' 42' ' ' VAL . 2.7 t -110.03 98.16 7.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 110.04 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -116.17 140.74 48.98 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.443 HG23 ' HG2' ' A' ' 61' ' ' LYS . 98.8 m -115.86 97.76 6.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.372 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.839 HD21 ' CG2' ' A' ' 112' ' ' THR . 0.1 OUTLIER -81.2 153.6 27.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.311 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.678 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -156.58 137.85 5.66 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.127 . . . . 0.0 110.977 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 126' ' ' LYS . 2.0 tp -143.56 135.77 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.774 . . . . 0.0 109.255 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -144.93 123.82 5.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.36 152.31 25.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.58 -31.94 4.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 3.9 t -81.9 -61.09 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.264 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -63.34 -14.23 47.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 54.36 21.04 18.38 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.532 1.145 . . . . 0.0 111.055 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.9 p -95.95 131.41 42.35 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 110.417 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.406 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 4.3 m-20 -108.51 134.65 50.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.298 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 t -128.11 159.84 33.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.1 . . . . 0.0 109.994 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 17.6 p90 -151.98 117.99 5.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.105 . . . . 0.0 110.988 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.564 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.8 t80 -108.42 143.1 37.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HG2' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -130.67 130.56 44.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.266 -179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.526 HD23 ' CE1' ' A' ' 104' ' ' PHE . 6.9 tp -127.82 130.56 48.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.452 ' NE2' ' OG ' ' A' ' 44' ' ' SER . 11.1 mt-30 -150.56 111.06 4.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 110.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.965 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -87.03 95.92 10.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.979 HD22 HG22 ' A' ' 23' ' ' VAL . 16.7 mt -80.26 145.61 32.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.63 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.2 pt-20 -123.68 148.19 46.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.268 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.414 ' CB ' ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER -64.96 136.33 56.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.3 -37.69 70.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 mttt -82.81 5.46 21.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 47.93 96.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -176.83 -48.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.122 . . . . 0.0 109.319 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -116.64 133.56 55.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.289 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.63 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 11.9 m-85 -121.3 164.88 16.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.546 ' CD2' HD21 ' A' ' 29' ' ' LEU . 14.3 m-90 -126.19 170.07 12.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 108.003 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.414 ' O ' HG22 ' A' ' 75' ' ' ILE . 6.0 mm -133.36 97.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 43.7 t80 -91.6 140.08 30.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.42 115.49 4.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.52 147.36 29.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 26.5 p90 -157.53 167.49 30.02 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . 134.89 158.03 8.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.448 ' HE ' HG21 ' A' ' 84' ' ' THR . 3.4 mpp_? -59.36 167.17 1.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 0.759 . . . . 0.0 110.359 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 42.9 t -89.08 -68.65 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -97.56 64.55 0.91 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.452 1.095 . . . . 0.0 110.985 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.6 HG22 ' H ' ' A' ' 85' ' ' VAL . 2.0 m -152.66 -168.5 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.763 . . . . 0.0 110.38 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.6 ' H ' HG22 ' A' ' 84' ' ' THR . 17.6 m -91.03 -31.2 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -48.49 159.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.281 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 145.73 122.87 1.52 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -161.4 167.2 26.14 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.515 0.774 . . . . 0.0 109.995 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -134.15 173.3 11.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.352 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -148.16 119.36 7.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.6 tp -117.69 114.17 22.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 0.0 109.242 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.5 mm-40 -113.88 160.69 18.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.462 1.101 . . . . 0.0 110.258 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -112.04 119.08 37.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.402 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 10.1 mmt -89.64 146.31 35.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.469 1.105 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -50.35 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.468 1.773 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -119.96 165.97 13.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.555 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -63.81 -41.44 97.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 -179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 100' ' ' ALA . 1.5 mt-10 -61.79 -58.91 6.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.402 ' O ' ' SD ' ' A' ' 94' ' ' MET . 1.2 m-20 -43.72 -27.41 0.32 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.47 ' C ' HD11 ' A' ' 64' ' ' LEU . . . -80.36 -55.2 5.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.468 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.6 mt -53.19 -47.61 55.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -52.6 -51.62 59.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -62.86 -51.25 67.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.595 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.965 ' CB ' HD12 ' A' ' 64' ' ' LEU . 72.7 t80 -57.85 -32.47 67.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 111.011 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.5 OUTLIER -79.05 -32.39 44.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -80.08 -45.89 17.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 107' ' ' LEU . 9.8 mt -49.26 -60.08 3.12 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.498 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.8 t80 -62.6 -10.38 12.04 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.532 1.145 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.404 ' O ' ' HA2' ' A' ' 113' ' ' GLY . 39.4 tt0 -95.9 -17.8 20.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.271 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.7 pt-20 -86.16 -30.23 22.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.564 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 10.1 mmtt -81.42 -67.62 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.839 ' CG2' HD21 ' A' ' 47' ' ' LEU . 26.8 p -66.65 -27.43 67.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.445 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 109' ' ' GLU . . . 89.73 -21.27 30.73 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.499 1.124 . . . . 0.0 111.022 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -100.53 151.28 21.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.15 152.27 20.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.31 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.549 ' CH2' ' HA ' ' A' ' 43' ' ' PHE . 2.9 t-105 -42.74 -56.04 3.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 107.992 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' SER . 0.2 OUTLIER -67.62 -76.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.58 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.408 ' O ' ' O ' ' A' ' 117' ' ' HIS . 2.7 t 40.61 91.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 118' ' ' SER . 2.6 mttm -40.17 -66.77 0.28 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.457 1.098 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -91.64 139.5 30.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -112.13 115.04 28.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 42.5 m -94.51 110.85 22.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 94.36 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -85.93 166.45 29.16 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.496 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 122.42 7.19 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 111.006 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.551 ' O ' HD13 ' A' ' 49' ' ' LEU . 14.7 mtmt 87.78 -38.13 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 1.17 . . . . 0.0 109.333 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -50.26 135.71 21.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -79.22 154.31 29.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.029 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.43 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 21.1 p90 -132.33 164.82 40.65 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.467 1.105 . . . . 0.0 111.006 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.527 ' O ' HD11 ' A' ' 133' ' ' ILE . 18.3 Cg_endo -74.93 123.44 7.92 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.503 1.791 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.678 HD21 ' HA3' ' A' ' 48' ' ' GLY . 77.7 mt -74.36 -54.64 7.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.16 129.74 54.17 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.334 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.527 HD11 ' O ' ' A' ' 130' ' ' PRO . 2.8 mp -136.27 137.68 47.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 3.4 t -104.3 177.38 4.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 1.118 . . . . 0.0 110.026 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -78.52 144.15 27.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.499 1.124 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 175.86 10.69 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 18.4 p -99.13 -59.05 1.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.995 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.88 160.67 2.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 t -156.38 169.9 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 0.757 . . . . 0.0 110.017 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.17 170.46 17.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.983 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 5' ' ' SER . . . 153.37 -64.93 0.34 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.467 1.104 . . . . 0.0 111.03 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER 79.28 -62.43 0.3 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.015 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.3 p -179.83 174.0 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.976 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.64 -122.26 1.04 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 62.73 165.39 0.11 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.566 0.803 . . . . 0.0 109.294 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.49 173.71 13.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -144.89 117.67 8.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.306 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 17.4 mmtm -113.27 -174.28 2.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.448 1.092 . . . . 0.0 109.277 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.6 mpt_? -134.95 126.76 29.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.273 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.64 149.42 31.48 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.74 135.9 38.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.2 mt -156.91 179.4 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 t -153.02 165.01 36.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.403 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -154.54 179.81 8.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.43 170.23 8.19 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.67 -166.21 17.26 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 104.11 -70.75 0.26 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.9 ' HB1' ' CG1' ' A' ' 35' ' ' VAL . . . -125.99 103.61 7.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.785 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.48 ' O ' ' NE2' ' A' ' 63' ' ' GLN . . . -114.47 128.25 56.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 34' ' ' HIS . 63.4 t -90.12 151.01 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.85 148.86 49.49 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.03 -18.96 18.23 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.448 1.762 . . . . 0.0 111.037 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -73.24 -19.39 61.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.1 p -76.22 -32.24 58.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 110.044 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 79.67 7.15 88.72 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -116.62 4.61 13.17 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 0.758 . . . . 0.0 109.297 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.408 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.9 pt-20 -57.62 -23.59 51.85 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 110.288 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 11.85 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.604 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 t -125.17 -65.71 1.0 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.47 1.106 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.406 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -103.52 179.37 4.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.675 ' HA ' HG21 ' A' ' 23' ' ' VAL . 23.0 p-80 -142.19 166.89 23.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.147 . . . . 0.0 109.602 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.932 HG21 HG13 ' A' ' 42' ' ' VAL . 0.5 OUTLIER -63.14 159.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 64' ' ' LEU . 0.4 OUTLIER -89.22 123.36 33.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.67 ' CG ' HG22 ' A' ' 42' ' ' VAL . 1.8 mt-10 -112.51 138.12 49.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.2 OUTLIER -151.37 149.78 29.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.261 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 38.74 50.59 2.52 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.531 1.144 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 52.57 38.33 51.7 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.3 OUTLIER -133.45 145.22 50.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.932 HG13 HG21 ' A' ' 35' ' ' VAL . 3.5 t -105.38 137.96 32.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.553 ' CD1' ' O ' ' A' ' 36' ' ' LEU . 4.6 m-85 -84.06 39.98 0.73 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.526 ' H ' HG12 ' A' ' 42' ' ' VAL . 4.6 t -117.58 97.42 5.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -117.61 137.56 52.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.28 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 79.7 m -113.45 99.27 7.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.855 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -82.37 156.55 24.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.883 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -154.33 115.02 0.64 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.597 ' HB2' ' CD1' ' A' ' 128' ' ' PHE . 3.3 tm? -124.67 137.62 54.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 0.746 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.49 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -145.67 140.42 21.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.05 138.92 31.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -93.53 -33.57 5.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.578 1.174 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 HG23 ' N ' ' A' ' 54' ' ' LYS . 19.3 m -83.4 -53.77 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.597 ' O ' HG23 ' A' ' 56' ' ' THR . 0.1 OUTLIER -69.83 -12.09 61.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.74 35.48 52.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.554 1.158 . . . . 0.0 110.976 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.597 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.6 p -118.04 118.17 31.2 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.531 0.783 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.415 ' HA ' ' HB ' ' A' ' 50' ' ' VAL . 1.8 m-20 -89.74 154.96 19.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.519 ' N ' ' O ' ' A' ' 49' ' ' LEU . 15.9 m -152.13 159.64 43.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 24.0 p90 -150.66 127.04 10.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.023 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.565 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 49.2 t80 -116.61 127.46 54.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.946 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 tmmp? -114.41 140.89 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.559 HD22 ' HB2' ' A' ' 108' ' ' TYR . 5.6 tp -137.67 129.26 28.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.48 ' NE2' ' O ' ' A' ' 22' ' ' ALA . 4.9 mt-30 -149.99 111.96 4.59 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.719 HD12 ' CB ' ' A' ' 104' ' ' PHE . 4.4 tt -84.8 105.21 15.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.861 HD12 HD12 ' A' ' 29' ' ' LEU . 17.5 mt -88.39 145.23 25.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.445 ' OE1' HD23 ' A' ' 36' ' ' LEU . 28.5 tt0 -126.19 114.86 18.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.524 1.14 . . . . 0.0 110.301 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' N ' ' O ' ' A' ' 72' ' ' ARG . 3.9 t0 -60.32 125.06 22.25 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -92.01 53.92 2.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -146.18 -89.32 0.1 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.4 mm-40 -90.72 42.1 1.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.338 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' C ' ' O ' ' A' ' 70' ' ' GLU . 34.9 m-80 39.21 62.87 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 1.106 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.491 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 11.6 mtt180 -111.3 172.9 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.298 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 97' ' ' LYS . 78.0 m-85 -153.25 155.33 36.38 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 111.008 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.493 ' HB3' HD11 ' A' ' 91' ' ' LEU . 15.8 m-90 -130.84 159.74 36.48 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.413 ' O ' HG22 ' A' ' 75' ' ' ILE . 5.9 mm -121.03 96.78 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -91.21 125.2 35.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 111.014 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -142.01 114.23 8.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 110.336 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.14 155.5 20.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.995 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 45.1 p90 -154.66 175.4 13.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.502 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 134.09 171.86 12.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.469 ' HD2' HG21 ' A' ' 84' ' ' THR . 88.2 mtt180 -77.39 -173.03 2.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 94.1 t -114.91 88.17 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.545 1.153 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.22 -42.58 1.9 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.521 1.138 . . . . 0.0 110.991 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.469 HG21 ' HD2' ' A' ' 81' ' ' ARG . 0.3 OUTLIER -52.35 -175.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 0.781 . . . . 0.0 110.415 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 18.5 m -83.93 -30.75 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.502 HG22 ' HA2' ' A' ' 80' ' ' GLY . 85.4 mt -57.15 122.0 5.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 176.65 114.17 0.37 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.574 1.171 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.22 163.36 36.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 0.753 . . . . 0.0 110.025 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -137.53 146.08 43.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -125.14 138.42 54.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD11 ' HB3' ' A' ' 74' ' ' TRP . 12.8 tp -136.56 125.53 24.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.576 1.172 . . . . 0.0 109.277 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.424 ' O ' ' HA ' ' A' ' 74' ' ' TRP . 1.7 mt-10 -133.24 154.78 50.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.78 136.34 37.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.289 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.485 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 32.8 mmm -97.29 152.31 38.18 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -55.91 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.555 1.819 . . . . 0.0 111.028 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -116.12 156.22 26.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.973 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.562 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -55.14 -47.83 74.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.411 ' C ' ' N ' ' A' ' 100' ' ' ALA . 2.9 mt-10 -60.09 -55.51 32.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.46 1.1 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -45.13 -27.15 0.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.485 ' CB ' ' HG3' ' A' ' 94' ' ' MET . . . -81.25 -52.35 7.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.0 mt -55.13 -49.02 75.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -50.66 -50.62 54.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.41 ' HD2' HG21 ' A' ' 75' ' ' ILE . 8.2 t60 -61.48 -49.18 77.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 1.139 . . . . 0.0 109.602 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.719 ' CB ' HD12 ' A' ' 64' ' ' LEU . 43.0 t80 -61.46 -30.92 70.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.7 mtm -78.96 -34.04 44.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 111.024 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.9 ttmt -80.71 -47.05 14.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.095 . . . . 0.0 109.26 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 107' ' ' LEU . 8.7 mt -50.5 -58.91 4.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.264 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.559 ' HB2' HD22 ' A' ' 62' ' ' LEU . 72.2 t80 -63.58 -9.43 13.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 111.037 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -95.89 -20.29 18.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.415 ' OE1' HD23 ' A' ' 107' ' ' LEU . 2.6 pt-20 -80.8 -39.86 25.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.122 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.567 ' HB3' ' CD2' ' A' ' 128' ' ' PHE . 31.6 mmtt -69.66 -66.72 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.855 HG23 HD21 ' A' ' 47' ' ' LEU . 43.9 p -65.24 -27.18 68.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.365 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 86.25 -14.64 53.45 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.489 1.118 . . . . 0.0 111.0 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -106.25 145.17 31.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.549 0.793 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.557 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.85 154.79 17.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.34 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.461 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 3.5 t-105 -64.82 -54.61 28.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.109 . . . . 0.0 108.022 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -97.08 69.26 2.33 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.591 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.557 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.0 OUTLIER -121.63 -41.91 2.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.457 1.098 . . . . 0.0 110.023 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 78.05 159.69 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.155 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 2.5 m120 51.89 59.55 4.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.4 ' CE1' ' HB ' ' A' ' 112' ' ' THR . 43.0 t80 -61.03 151.01 31.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 111.001 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.9 m -118.91 116.29 26.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.426 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.495 ' HE2' ' CD2' ' A' ' 129' ' ' TYR . 0.8 OUTLIER -67.66 94.71 0.45 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.286 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.494 ' CB ' ' HG3' ' A' ' 127' ' ' LYS . 2.8 m-85 -90.57 164.27 27.31 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 127.29 10.55 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.531 1.806 . . . . 0.0 111.014 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 29.5 mtmt 75.07 2.14 3.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.263 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.494 ' HG3' ' CB ' ' A' ' 124' ' ' TYR . 22.7 mmtm -92.33 129.59 38.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.267 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.597 ' CD1' ' HB2' ' A' ' 49' ' ' LEU . 91.4 m-85 -70.19 143.37 52.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 111.025 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.568 ' CZ ' ' O ' ' A' ' 48' ' ' GLY . 29.3 p90 -127.31 164.33 36.51 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 118.67 5.35 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.465 1.771 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.883 HD21 ' HA3' ' A' ' 48' ' ' GLY . 71.1 mt -72.16 -45.14 61.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.25 86.04 5.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.2 mm -68.2 133.88 31.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.9 t -87.51 -59.46 2.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.983 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -161.05 149.55 18.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.465 1.103 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 79.75 2.6 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 2.3 m 51.59 177.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.017 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.03 -58.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.007 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -175.46 171.47 2.82 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 110.008 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -172.37 169.71 5.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.07 175.49 44.71 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -170.26 170.76 7.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 0.746 . . . . 0.0 110.024 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -174.29 167.06 4.08 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.973 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.46 118.5 0.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -116.97 163.11 16.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 0.77 . . . . 0.0 109.301 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.69 165.24 4.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.014 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -175.67 153.38 1.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.278 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -77.28 162.16 27.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.55 130.13 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.315 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.01 169.56 2.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 111.048 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.53 165.37 21.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.3 mm? -118.71 128.67 54.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.2 p -116.45 153.98 31.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 110.359 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -93.06 153.42 18.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.94 -64.19 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -63.2 164.3 29.03 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 162.96 -143.71 8.93 Favored Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.679 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -110.23 163.29 13.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.346 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -106.71 128.0 53.84 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.757 HG22 HD12 ' A' ' 65' ' ' LEU . 38.6 t -59.39 153.92 3.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.0 148.74 79.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.447 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.3 Cg_endo -75.0 -17.49 19.49 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.974 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -72.77 -27.72 62.18 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.464 ' HB2' HD13 ' A' ' 91' ' ' LEU . 18.9 p -80.36 -26.63 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.013 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.57 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 86.11 -19.63 25.42 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.482 1.113 . . . . 0.0 111.019 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.962 HD21 ' CE3' ' A' ' 74' ' ' TRP . 3.1 mp -70.72 -8.6 53.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 0.781 . . . . 0.0 109.359 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.7 OUTLIER -46.01 -31.2 2.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.305 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -119.91 -7.08 10.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.614 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.438 ' CB ' ' HA ' ' A' ' 29' ' ' LEU . 0.8 OUTLIER -96.22 -72.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.999 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB3' ' CG ' ' A' ' 29' ' ' LEU . . . -102.63 -170.62 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.518 ' HA ' HG23 ' A' ' 23' ' ' VAL . 1.6 p-80 -146.17 159.11 43.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.679 HG11 ' HB3' ' A' ' 21' ' ' ALA . 79.9 t -50.34 138.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.67 HD23 ' CE2' ' A' ' 43' ' ' PHE . 40.6 tp -76.32 151.03 36.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.545 ' H ' HD12 ' A' ' 36' ' ' LEU . 3.1 mt-10 -136.21 134.59 38.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.289 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' LYS . 45.0 tttm -149.22 151.48 34.34 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.96 48.85 3.43 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.456 1.097 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 51.92 40.83 50.9 Favored Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 38' ' ' LYS . 4.5 mmmt -134.03 159.28 41.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.497 0.763 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG11 ' HB2' ' A' ' 21' ' ' ALA . 20.2 t -112.18 138.42 41.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.67 ' CE2' HD23 ' A' ' 36' ' ' LEU . 5.8 m-85 -86.34 56.65 4.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 110.959 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 24.7 t -134.73 97.56 3.81 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 0.0 109.984 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.449 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -118.05 135.54 54.12 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.3 m -112.07 98.4 7.32 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.089 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.565 HD21 ' CE2' ' A' ' 108' ' ' TYR . 84.5 mt -90.75 153.67 20.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.338 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.803 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -147.04 123.87 1.85 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.125 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.599 ' HB2' ' CD2' ' A' ' 128' ' ' PHE . 1.5 tm? -123.25 143.38 50.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 0.733 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 56' ' ' THR . 59.3 t -133.92 133.02 56.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.2 132.76 35.05 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.7 tt -90.05 -38.28 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 54' ' ' LYS . 20.9 m -78.56 -53.61 13.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.551 ' N ' HG23 ' A' ' 53' ' ' VAL . 21.6 mmtt -69.11 -16.14 63.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.247 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.5 41.49 81.23 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.527 1.142 . . . . 0.0 111.011 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 54' ' ' LYS . 17.2 p -121.23 169.43 10.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 0.751 . . . . 0.0 110.413 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 58' ' ' SER . 24.9 t-20 -115.6 154.68 29.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.285 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 49' ' ' LEU . 18.1 m -150.99 145.45 25.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 110.007 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 21.8 p90 -138.06 116.04 11.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 111' ' ' LYS . 32.1 t80 -108.84 112.83 25.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.86 137.46 43.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.7 tp -128.89 120.86 26.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 1.8 mt-30 -140.5 124.03 17.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.281 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.023 ' C ' HD13 ' A' ' 65' ' ' LEU . 4.1 tt -97.91 130.38 44.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.023 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -114.32 147.84 38.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.603 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 11.3 pt-20 -132.22 139.46 48.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 70' ' ' GLU . 2.2 m-20 -59.32 129.86 44.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -49.17 -36.37 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' GLU . 0.1 OUTLIER -91.98 31.68 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.123 . . . . 0.0 109.333 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' A' ' 67' ' ' ASP . 5.2 pt-20 36.7 36.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -75.15 -80.67 0.08 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.5 165.48 20.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.13 . . . . 0.0 110.336 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.603 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 16.0 m-85 -119.29 161.26 20.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 111.035 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.962 ' CE3' HD21 ' A' ' 29' ' ' LEU . 28.6 m-90 -128.1 165.66 19.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.738 HG21 ' HD2' ' A' ' 103' ' ' HIS . 5.3 mm -132.04 103.11 6.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -91.06 127.84 36.64 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.499 ' NH1' ' NE2' ' A' ' 103' ' ' HIS . 7.9 mtt180 -128.86 114.57 16.67 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -110.62 144.55 39.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 21.5 p90 -160.12 175.25 13.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 107.971 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.46 175.97 14.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.475 1.109 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.28 167.27 14.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.2 t -97.27 -65.28 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.323 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.549 ' O ' HG23 ' A' ' 84' ' ' THR . . . -72.5 57.44 1.62 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.529 1.143 . . . . 0.0 110.997 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.549 HG23 ' O ' ' A' ' 83' ' ' GLY . 1.5 p -155.68 171.26 20.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 0.776 . . . . 0.0 110.378 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 20.8 m -95.96 -22.1 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 44.8 mt -59.56 138.68 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -156.86 107.24 0.31 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.538 1.149 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.2 m -106.91 139.43 41.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 0.772 . . . . 0.0 109.961 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -139.32 146.82 40.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -124.2 129.62 51.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.326 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.599 HD11 ' HB3' ' A' ' 74' ' ' TRP . 18.5 tp -130.77 132.7 45.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.279 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -137.8 146.36 43.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.28 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 12.2 tm0? -87.72 116.4 25.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.349 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.421 ' SD ' ' O ' ' A' ' 99' ' ' ASP . 8.3 mmt -80.35 149.47 68.95 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.976 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.61 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.514 1.797 . . . . 0.0 111.039 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -123.43 162.18 23.32 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.498 1.124 . . . . 0.0 109.971 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 0.6 OUTLIER -57.09 -45.4 83.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -59.5 -56.36 22.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . 0.421 ' O ' ' SD ' ' A' ' 94' ' ' MET . 2.8 m-20 -44.67 -28.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -79.64 -51.39 9.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 109.29 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.466 ' CD1' ' HD3' ' A' ' 97' ' ' LYS . 4.1 mt -58.7 -50.74 78.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -49.48 -53.7 21.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.738 ' HD2' HG21 ' A' ' 75' ' ' ILE . 38.5 t60 -60.62 -44.56 96.2 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.572 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.693 ' HB2' HD12 ' A' ' 64' ' ' LEU . 56.7 t80 -65.07 -28.18 69.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 111.017 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 101' ' ' ILE . 1.2 mtm -83.25 -33.43 26.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.95 -47.46 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 107' ' ' LEU . 12.4 mt -50.69 -56.81 10.23 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.706 ' HB2' HD22 ' A' ' 62' ' ' LEU . 54.2 t80 -64.59 -8.89 15.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.409 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 32.9 tt0 -96.49 -19.7 18.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.43 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 4.0 pt-20 -83.59 -42.12 17.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 110.298 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 60' ' ' TYR . 13.7 mmtt -64.72 -65.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.442 ' CG2' HD13 ' A' ' 47' ' ' LEU . 23.1 p -67.97 -38.39 82.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 100.4 -21.49 44.02 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.484 1.115 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.409 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 3.5 m-80 -98.25 154.12 18.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.283 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -59.62 152.96 21.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . 0.448 ' CZ3' ' CE1' ' A' ' 104' ' ' PHE . 4.0 t-105 -51.46 -54.38 27.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 84.8 m-70 -70.18 -78.33 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.56 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 63.08 -179.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.055 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -119.48 -56.29 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -127.77 107.15 9.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -60.02 141.05 56.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.986 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 m -123.07 111.3 16.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.403 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.07 111.89 4.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -109.47 163.82 16.18 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 111.029 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.493 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.2 Cg_endo -75.02 121.5 6.61 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.478 1.778 . . . . 0.0 110.982 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.493 ' CB ' ' O ' ' A' ' 125' ' ' PRO . 14.5 mtpt 86.8 -21.73 0.18 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.474 ' O ' HD23 ' A' ' 49' ' ' LEU . 15.6 mmtt -67.97 140.2 56.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.256 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.599 ' CD2' ' HB2' ' A' ' 49' ' ' LEU . 30.7 m-85 -81.35 145.01 31.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.964 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.841 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.2 p90 -133.42 163.75 48.87 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 110.968 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 120.65 6.16 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.535 1.808 . . . . 0.0 111.043 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.841 HD23 ' CE1' ' A' ' 129' ' ' TYR . 46.9 mt -67.91 -56.17 10.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.138 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -120.53 103.85 9.5 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -126.24 -55.48 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 30.7 t 52.84 97.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.452 1.095 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . -169.44 162.04 35.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.72 6.91 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 139' ' ' GLY . 42.4 t -159.8 147.24 16.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 110.032 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 74.5 m 63.53 -78.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 110.056 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 137' ' ' SER . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 177.96 121.81 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 0.748 . . . . 0.0 110.005 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.1 p -173.53 169.03 4.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 158.72 10.53 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.095 . . . . 0.0 110.986 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 178.0 142.93 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.037 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -166.68 158.09 12.82 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.145 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.33 -176.42 40.41 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.481 1.113 . . . . 0.0 110.976 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.57 109.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 109.355 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m -168.73 151.53 5.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 110.036 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 64.62 123.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.298 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.87 -62.48 1.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.52 160.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.309 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.22 167.7 11.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 111.008 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.8 mttm -144.59 -62.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -67.23 117.92 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.8 t -161.4 154.09 20.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.39 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 tp -143.7 171.51 14.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.71 138.24 51.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 105.88 161.01 22.85 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.503 1.127 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 156.37 -64.15 0.32 Allowed Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.922 ' HB2' HG11 ' A' ' 42' ' ' VAL . . . -125.79 164.63 20.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 0.783 . . . . 0.0 109.287 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.78 137.32 34.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.548 1.155 . . . . 0.0 109.32 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.559 HG21 ' HA ' ' A' ' 34' ' ' HIS . 42.1 t -90.55 149.86 3.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.528 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.49 143.44 68.32 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.435 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.5 Cg_endo -74.95 -21.83 15.57 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.437 1.756 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -69.99 -21.87 63.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.434 ' CB ' HD11 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -76.54 -30.44 57.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 110.01 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.598 ' C ' HD13 ' A' ' 29' ' ' LEU . . . 87.45 -18.28 38.7 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.539 1.149 . . . . 0.0 110.978 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD13 ' N ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -93.26 16.96 11.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 0.764 . . . . 0.0 109.299 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.435 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 1.2 pt-20 -64.7 -29.3 70.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 110.324 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -118.76 11.5 12.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.581 1.176 . . . . 0.0 109.552 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.21 -59.19 1.8 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.996 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 29' ' ' LEU . . . -105.51 176.22 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.559 ' HA ' HG21 ' A' ' 23' ' ' VAL . 13.9 p-80 -138.76 160.58 39.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.586 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.621 HG21 ' HB3' ' A' ' 21' ' ' ALA . 57.2 t -52.17 133.69 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.282 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.735 HD12 ' CE2' ' A' ' 43' ' ' PHE . 0.9 OUTLIER -73.34 123.01 22.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.332 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.539 ' N ' HD22 ' A' ' 36' ' ' LEU . 1.3 mt-10 -109.95 146.08 35.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.447 ' O ' ' N ' ' A' ' 41' ' ' LYS . 8.9 tttp -157.62 149.98 22.63 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.23 52.7 2.77 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.538 1.149 . . . . 0.0 110.95 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.38 38.78 27.72 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' N ' ' O ' ' A' ' 38' ' ' LYS . 2.2 mmmt -133.5 168.95 17.7 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 0.735 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.922 HG11 ' HB2' ' A' ' 21' ' ' ALA . 54.9 t -120.42 138.65 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.341 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.735 ' CE2' HD12 ' A' ' 36' ' ' LEU . 4.0 m-85 -86.64 48.24 1.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.504 ' HB2' HG12 ' A' ' 42' ' ' VAL . 0.3 OUTLIER -130.84 97.78 4.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.56 141.61 49.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 109.312 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.473 ' OG1' ' CE ' ' A' ' 61' ' ' LYS . 17.2 m -112.49 102.36 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.132 . . . . 0.0 110.438 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.854 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -87.96 148.38 24.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -139.06 132.43 5.7 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.66 HD23 ' O ' ' A' ' 127' ' ' LYS . 1.2 tm? -135.88 136.06 40.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 0.757 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.402 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -146.55 138.08 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.18 141.68 28.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.8 tp -94.28 -33.77 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.343 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 2.6 t -82.28 -62.03 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -63.33 -14.33 48.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.84 34.8 61.75 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.548 1.155 . . . . 0.0 111.013 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 54' ' ' LYS . 16.8 p -112.71 121.32 44.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 0.778 . . . . 0.0 110.381 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.41 ' O ' ' HA ' ' A' ' 81' ' ' ARG . 2.5 m-20 -91.73 152.21 20.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.553 ' N ' ' O ' ' A' ' 49' ' ' LEU . 48.8 m -151.83 161.63 42.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.015 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.58 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 24.3 p90 -151.42 129.95 12.21 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.547 1.155 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.551 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 58.7 t80 -119.09 122.78 42.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.473 ' CE ' ' OG1' ' A' ' 46' ' ' THR . 0.1 OUTLIER -109.87 135.55 50.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 109.339 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.576 HD22 ' HB2' ' A' ' 108' ' ' TYR . 9.6 tp -123.99 140.74 52.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.274 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.431 ' CG ' ' O ' ' A' ' 62' ' ' LEU . 36.4 mt-30 -156.77 124.81 5.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.53 HD13 ' CD2' ' A' ' 43' ' ' PHE . 1.3 tt -103.25 100.5 10.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.624 HD12 HD23 ' A' ' 29' ' ' LEU . 10.7 mt -78.89 148.17 32.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.328 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' CD ' HD23 ' A' ' 36' ' ' LEU . 29.1 tt0 -133.85 131.65 39.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 110.273 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.425 ' OD1' ' N ' ' A' ' 68' ' ' ASP . 61.6 t0 -59.94 141.89 54.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.148 . . . . 0.0 109.283 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.471 ' HB3' ' CE1' ' A' ' 34' ' ' HIS . 5.2 p30 -105.36 35.03 2.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.5 mttt -149.04 -61.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.79 -163.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 1.108 . . . . 0.0 110.332 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.6 80.52 3.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.78 130.66 30.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.28 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.552 ' CE2' ' HG3' ' A' ' 97' ' ' LYS . 19.4 m-85 -134.73 165.53 25.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.525 1.141 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . . . . . . . . . 28.6 m-90 -140.7 145.66 36.78 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.97 -1.122 . . . . 0.0 107.97 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 ' CD2' ' A' ' 103' ' ' HIS . 8.9 mm -109.47 97.92 6.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.528 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 83.9 t80 -90.79 120.03 31.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.412 ' NH2' ' HG2' ' A' ' 90' ' ' LYS . 0.1 OUTLIER -127.77 114.34 17.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.285 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.1 p -104.74 146.5 28.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 12.8 p90 -155.05 168.95 25.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.127 . . . . 0.0 108.004 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 135.19 158.23 8.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.475 1.109 . . . . 0.0 111.037 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.412 ' HB3' ' OG1' ' A' ' 84' ' ' THR . 0.0 OUTLIER -64.61 157.06 28.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 0.781 . . . . 0.0 110.276 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 55.8 t -69.96 -67.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -118.54 85.42 0.39 Allowed Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.49 1.119 . . . . 0.0 110.951 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.412 ' OG1' ' HB3' ' A' ' 81' ' ' ARG . 1.7 m -153.39 -75.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.362 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 86' ' ' ILE . 1.0 OUTLIER 179.44 -51.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.5 ' N ' HG12 ' A' ' 85' ' ' VAL . 28.9 mt -40.07 152.15 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.349 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 163.15 99.06 0.14 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.477 1.11 . . . . 0.0 110.998 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.18 171.62 13.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 0.746 . . . . 0.0 109.981 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 77' ' ' ARG . 1.3 p-10 -139.77 179.13 6.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.412 ' HG2' ' NH2' ' A' ' 77' ' ' ARG . 1.8 tppt? -142.14 126.42 17.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 12.8 tp -117.69 114.34 23.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.347 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -131.87 117.28 18.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -72.57 123.15 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.097 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.442 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 43.1 mmm -84.03 150.17 57.77 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.453 1.096 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -56.99 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.504 1.791 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.16 155.67 27.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.14 . . . . 0.0 109.971 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.552 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 9.3 tttt -52.3 -47.5 65.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -58.93 -54.64 44.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.61 -23.66 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.1 . . . . 0.0 109.312 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 97' ' ' LYS . . . -83.08 -44.55 15.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.084 . . . . 0.0 109.363 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.447 ' CD1' ' HG2' ' A' ' 97' ' ' LYS . 4.1 mt -60.49 -51.63 70.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.523 1.139 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -47.78 -47.08 30.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.575 1.172 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.828 ' CE1' HD21 ' A' ' 107' ' ' LEU . 0.9 OUTLIER -59.99 -57.06 14.48 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.62 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.48 ' CD1' ' HB2' ' A' ' 64' ' ' LEU . 89.2 t80 -60.58 -24.51 65.49 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 111.003 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER -83.79 -40.91 18.17 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.48 1.113 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.09 -47.87 19.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.278 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.828 HD21 ' CE1' ' A' ' 103' ' ' HIS . 4.1 mm? -47.88 -60.49 2.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.306 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.576 ' HB2' HD22 ' A' ' 62' ' ' LEU . 77.8 t80 -59.44 -12.04 5.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 111.04 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.401 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 23.3 tt0 -97.2 -21.15 17.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 110.331 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.8 pt-20 -77.2 -31.89 55.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 110.314 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.566 ' HB3' ' CD1' ' A' ' 128' ' ' PHE . 21.7 mmtt -80.77 -63.32 1.43 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.854 HG23 HD21 ' A' ' 47' ' ' LEU . 67.3 p -64.69 -29.94 70.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.65 -12.0 66.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.454 1.096 . . . . 0.0 110.999 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.401 ' O ' ' HA ' ' A' ' 109' ' ' GLU . 70.3 m-20 -111.6 152.51 27.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 0.731 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.702 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -58.73 152.6 18.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.273 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -63.4 -51.32 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 108.015 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -95.5 67.28 2.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 0.0 109.625 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.702 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 38.6 t -132.35 103.4 6.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 109.998 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -47.57 171.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 40.65 89.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.28 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -78.6 119.34 21.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 0.0 110.954 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 m -85.88 103.1 14.3 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.097 . . . . 0.0 110.435 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.557 ' HE3' ' CD2' ' A' ' 129' ' ' TYR . 0.2 OUTLIER -67.04 115.64 6.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 109.281 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.634 ' CB ' ' HB2' ' A' ' 127' ' ' LYS . 5.2 m-85 -110.01 171.72 4.17 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.967 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 127' ' ' LYS . 18.3 Cg_endo -75.04 -104.64 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.472 1.775 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 125' ' ' PRO . 10.9 mttt -36.92 -32.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.66 ' O ' HD23 ' A' ' 49' ' ' LEU . 28.8 mmtm -56.74 161.23 2.93 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.292 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.679 ' O ' HG22 ' A' ' 112' ' ' THR . 39.4 m-85 -102.12 153.24 20.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.564 ' HE1' HD23 ' A' ' 131' ' ' LEU . 4.1 p90 -135.98 164.27 44.35 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 117.17 4.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.504 1.792 . . . . 0.0 110.986 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.564 HD23 ' HE1' ' A' ' 129' ' ' TYR . 64.7 mt -61.79 -43.99 97.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -102.48 106.98 17.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.322 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.8 mt -99.54 134.28 39.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 28.3 t -164.99 115.75 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.986 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 124.11 151.45 8.16 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.472 1.108 . . . . 0.0 111.023 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -174.25 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.49 1.784 . . . . 0.0 110.99 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 1.3 t -132.86 -64.81 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.006 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 12.7 m -51.0 118.25 3.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 110.014 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 O-C-N 124.477 1.111 . . . . 0.0 110.957 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 177.17 172.38 0.51 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 110.034 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -177.25 158.45 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.979 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.64 174.36 41.37 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.563 1.164 . . . . 0.0 111.0 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.48 119.15 2.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 110.009 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -111.25 173.7 6.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.009 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 60.89 160.15 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.499 1.124 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -132.97 -69.39 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 0.75 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.62 -46.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.978 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -45.45 130.77 8.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.102 . . . . 0.0 110.299 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 178.06 116.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.23 105.27 3.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.288 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.02 105.42 9.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.02 162.91 12.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 174.03 125.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 13.1 t -78.99 142.48 36.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 mt -123.21 -174.56 2.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.324 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.61 -64.8 0.54 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.55 -159.09 17.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 110.964 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 174.52 -64.91 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.86 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -101.3 163.97 12.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 0.777 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.1 130.77 55.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.879 HG22 HD12 ' A' ' 65' ' ' LEU . 24.8 t -61.46 157.94 2.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.505 ' OD2' ' CZ ' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -77.98 146.17 71.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -22.74 14.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.465 1.771 . . . . 0.0 110.936 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -68.69 -28.38 66.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.467 ' HA ' HD22 ' A' ' 91' ' ' LEU . 71.1 p -75.49 -23.84 56.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.03 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.58 ' O ' ' CE1' ' A' ' 31' ' ' HIS . . . 69.16 9.37 60.32 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.018 HD12 HD23 ' A' ' 65' ' ' LEU . 3.5 mt -98.48 -3.99 35.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.45 0.735 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 3.5 pt-20 -57.31 -17.16 10.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 110.319 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.58 ' CE1' ' O ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -119.25 12.29 12.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.6 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.86 -65.04 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 66' ' ' GLU . . . -103.98 166.89 10.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.311 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 3.4 p-80 -129.55 159.68 35.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.551 1.157 . . . . 0.0 109.592 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.86 HG11 ' HB3' ' A' ' 21' ' ' ALA . 58.4 t -49.64 126.42 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.333 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD22 ' N ' ' A' ' 37' ' ' GLU . 1.4 tm? -71.24 124.62 24.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.611 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -112.0 134.49 53.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.311 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' LYS . 2.2 tttt -144.54 153.06 41.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 38' ' ' LYS . . . 37.51 58.2 1.41 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.492 1.12 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 43.85 39.77 5.07 Favored Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.1 OUTLIER -134.23 170.77 15.2 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.496 0.762 . . . . 0.0 109.325 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.855 HG11 ' HB2' ' A' ' 21' ' ' ALA . 35.1 t -124.55 137.01 58.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.29 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.547 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.8 m-85 -86.95 55.07 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 45.8 t -132.17 97.88 4.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.401 ' HB1' ' HE2' ' A' ' 108' ' ' TYR . . . -119.4 148.35 43.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 53.8 m -127.25 98.11 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.386 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.644 HD21 ' CE2' ' A' ' 108' ' ' TYR . 23.1 mt -86.23 162.72 18.16 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 109.362 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.894 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -155.51 119.59 0.93 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.869 HD23 ' O ' ' A' ' 127' ' ' LYS . 2.8 tm? -123.9 138.83 54.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 0.78 . . . . 0.0 109.33 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.458 ' N ' HD13 ' A' ' 49' ' ' LEU . 0.2 OUTLIER -146.44 137.57 18.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 109.324 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -93.38 143.08 26.62 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -94.83 -36.54 6.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.105 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.55 HG23 ' N ' ' A' ' 54' ' ' LYS . 21.3 m -78.39 -54.28 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.55 ' N ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -67.91 -16.58 64.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 58.1 32.43 67.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.433 HG23 ' O ' ' A' ' 54' ' ' LYS . 12.6 p -115.11 135.49 54.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -105.01 148.6 26.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.523 ' N ' ' O ' ' A' ' 49' ' ' LEU . 20.8 m -147.38 156.79 43.22 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.114 . . . . 0.0 110.025 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 22.9 p90 -151.38 121.79 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 111.006 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.537 ' CE2' ' HE3' ' A' ' 111' ' ' LYS . 46.6 t80 -110.78 125.38 53.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.975 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -109.69 143.72 39.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 108' ' ' TYR . 10.0 tp -135.46 129.39 33.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 21.4 mt-30 -152.68 126.63 9.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.025 ' C ' HD13 ' A' ' 65' ' ' LEU . 2.8 tt -101.01 129.62 46.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.025 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -116.13 137.96 51.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.585 ' CB ' ' CE2' ' A' ' 73' ' ' TYR . 10.8 pt-20 -120.71 157.49 29.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.457 ' C ' ' N ' ' A' ' 69' ' ' LYS . 13.2 t0 -59.22 136.46 57.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 67' ' ' ASP . 1.7 m-20 -39.26 -29.85 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' N ' ' C ' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -93.66 -91.76 0.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.494 ' O ' ' CB ' ' A' ' 71' ' ' ASN . 4.5 pt-20 170.55 112.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.279 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.494 ' CB ' ' O ' ' A' ' 70' ' ' GLU . 2.1 m-20 156.45 -42.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.483 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 1.2 mtm-85 -100.54 138.44 37.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.585 ' CE2' ' CB ' ' A' ' 66' ' ' GLU . 34.8 m-85 -145.59 159.44 43.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 110.971 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.483 ' CE3' HD13 ' A' ' 29' ' ' LEU . 19.1 m-90 -132.27 164.59 26.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 108.041 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.579 HG21 ' CD2' ' A' ' 103' ' ' HIS . 5.7 mm -131.12 99.79 4.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.505 ' CZ ' ' OD2' ' A' ' 24' ' ' ASP . 92.2 t80 -92.33 135.66 33.84 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.425 1.078 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.548 ' HD2' HD13 ' A' ' 107' ' ' LEU . 0.0 OUTLIER -142.64 115.02 8.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.98 154.87 19.53 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 16.0 p90 -169.67 125.75 0.85 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 108.014 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.595 ' O ' ' CD2' ' A' ' 59' ' ' TYR . . . -172.52 168.12 41.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.495 1.122 . . . . 0.0 110.993 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 156.44 39.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 0.777 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -84.69 155.11 3.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.543 1.152 . . . . 0.0 109.325 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 48.19 51.9 19.17 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 1.8 p -149.38 173.6 13.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 0.78 . . . . 0.0 110.439 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 15.7 m -96.64 -21.7 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 20.9 mt -61.28 123.21 13.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.69 105.61 0.43 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.1 m -102.24 119.2 38.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 0.761 . . . . 0.0 110.022 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -128.29 160.22 32.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -141.07 139.76 34.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.467 HD22 ' HA ' ' A' ' 27' ' ' SER . 22.1 tp -131.74 136.5 47.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -144.82 124.06 12.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.479 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.3 tm0? -74.45 120.74 20.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.486 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 33.2 mmm -85.23 148.75 50.86 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.468 1.105 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -57.87 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.8 . . . . 0.0 111.004 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.2 t -114.29 162.65 16.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.017 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 73' ' ' TYR . 3.9 tttt -57.68 -45.46 85.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.4 ' C ' ' N ' ' A' ' 100' ' ' ALA . 3.7 mt-10 -62.78 -55.39 26.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -45.54 -27.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.25 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.567 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.24 -51.74 8.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.547 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -57.42 -53.45 43.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -43.26 -55.65 3.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.579 ' CD2' HG21 ' A' ' 75' ' ' ILE . 13.7 t60 -59.03 -46.11 89.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.639 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.592 ' HB2' HD12 ' A' ' 64' ' ' LEU . 59.9 t80 -61.73 -33.07 73.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 111.046 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.8 OUTLIER -76.74 -38.25 54.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.145 . . . . 0.0 110.984 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.03 -42.34 38.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.294 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.548 HD13 ' HD2' ' A' ' 77' ' ' ARG . 10.0 mt -53.22 -57.58 10.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.644 ' CE2' HD21 ' A' ' 47' ' ' LEU . 28.1 t80 -64.6 -9.28 18.3 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 111.023 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.453 ' O ' ' CA ' ' A' ' 113' ' ' GLY . 26.1 tt0 -93.09 -20.18 20.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.447 ' CG ' ' N ' ' A' ' 111' ' ' LYS . 2.8 pt-20 -87.43 -43.1 12.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.537 ' HE3' ' CE2' ' A' ' 60' ' ' TYR . 32.2 mmtt -62.04 -51.08 69.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 1.061 HG22 ' O ' ' A' ' 128' ' ' PHE . 21.2 p -83.7 -43.67 15.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.387 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 108.07 -23.53 25.15 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.465 1.103 . . . . 0.0 111.044 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 66.3 m-20 -102.64 155.88 18.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.599 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -59.12 155.47 13.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -79.23 -61.04 2.13 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -44.97 -50.89 10.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.434 1.084 . . . . 0.0 109.594 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.599 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 1.6 t -40.17 109.88 0.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 109.998 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -58.73 -81.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.291 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -42.22 98.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 130' ' ' PRO . 87.8 t80 -98.62 116.94 31.94 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 17.4 m -87.66 124.26 33.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.429 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 114.53 6.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 109.299 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . 0.509 ' HB3' ' CG ' ' A' ' 127' ' ' LYS . 1.5 m-85 -89.08 174.95 4.39 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.983 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -94.16 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 13.0 mttt -80.29 55.13 2.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.869 ' O ' HD23 ' A' ' 49' ' ' LEU . 4.5 mmtt -125.62 166.65 16.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.264 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 1.061 ' O ' HG22 ' A' ' 112' ' ' THR . 61.9 m-85 -101.66 99.99 10.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.46 1.1 . . . . 0.0 110.98 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.545 ' O ' ' HA ' ' A' ' 47' ' ' LEU . 11.9 p90 -87.57 164.88 33.12 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . 0.562 ' HD3' ' CE2' ' A' ' 121' ' ' PHE . 18.2 Cg_endo -75.01 129.53 12.42 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.476 1.777 . . . . 0.0 111.005 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.894 HD21 ' HA3' ' A' ' 48' ' ' GLY . 38.0 mt -81.58 -48.15 12.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.3 102.22 2.09 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 41.3 mm -118.93 143.04 31.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.58 146.12 11.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 81.2 172.25 46.16 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . 0.48 ' O ' ' CB ' ' A' ' 137' ' ' SER . 18.3 Cg_endo -75.04 -174.91 2.11 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 136' ' ' PRO . 0.3 OUTLIER 161.32 -68.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 110.026 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 57.6 m -40.95 145.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.961 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 O-C-N 124.49 1.119 . . . . 0.0 110.991 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.11 87.02 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 0.791 . . . . 0.0 110.009 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.7 p 177.37 160.27 0.44 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.64 78.62 0.17 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.531 1.144 . . . . 0.0 111.012 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -169.63 78.36 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.429 0.723 . . . . 0.0 109.987 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.1 p 53.59 172.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 110.024 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -53.9 -178.96 0.13 Allowed Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.448 1.093 . . . . 0.0 110.957 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 tttt -172.04 118.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 0.803 . . . . 0.0 109.259 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t -173.49 -56.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.992 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' ARG . 1.9 tm-20 50.2 81.8 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 66.9 mmtt 65.9 -76.03 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.438 ' N ' ' O ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER 68.94 106.12 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 110.302 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.2 155.36 33.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.974 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.763 ' O ' HD12 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -164.4 124.26 1.99 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.763 HD12 ' O ' ' A' ' 14' ' ' LYS . 0.1 OUTLIER -171.31 -171.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.309 -179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.523 ' C ' ' O ' ' A' ' 15' ' ' LEU . 4.4 t 27.89 68.02 0.07 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.162 . . . . 0.0 110.418 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.45 171.51 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 -54.19 2.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' CA ' ' OE1' ' A' ' 37' ' ' GLU . . . 84.81 -170.73 46.11 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 172.95 -61.77 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.852 ' HB3' HG11 ' A' ' 35' ' ' VAL . . . -101.69 164.49 11.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 0.777 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -110.91 128.62 55.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.826 HG22 HD12 ' A' ' 65' ' ' LEU . 37.1 t -56.87 151.98 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.11 . . . . 0.0 109.32 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' CG ' ' CE2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -77.63 147.71 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.284 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.441 ' HA ' ' HG2' ' A' ' 30' ' ' GLU . 18.1 Cg_endo -75.05 -23.9 13.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.948 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' ' CE1' ' A' ' 76' ' ' PHE . 62.3 m-20 -65.86 -26.53 67.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.3 p -81.2 -22.96 38.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.038 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.29 2.59 59.54 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.494 1.121 . . . . 0.0 110.999 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.014 HD12 HD23 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -98.47 20.97 11.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 0.777 . . . . 0.0 109.264 -179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' HG2' ' HA ' ' A' ' 25' ' ' PRO . 0.5 OUTLIER -79.04 -21.02 47.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.325 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -119.42 12.41 12.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.559 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.51 -62.44 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.998 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.412 ' O ' ' O ' ' A' ' 29' ' ' LEU . . . -104.4 177.46 4.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 109.277 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.474 ' HA ' HG23 ' A' ' 23' ' ' VAL . 5.6 p-80 -140.01 157.84 45.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.537 1.148 . . . . 0.0 109.642 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG11 ' HB3' ' A' ' 21' ' ' ALA . 94.9 t -50.79 128.46 8.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD22 ' N ' ' A' ' 37' ' ' GLU . 2.2 tm? -73.59 128.83 36.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.552 ' CG ' HG22 ' A' ' 42' ' ' VAL . 2.0 mt-10 -114.52 146.3 40.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 110.355 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -156.82 151.19 25.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.944 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 39.61 51.73 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.541 1.151 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 49.88 39.43 32.57 Favored Glycine 0 CA--C 1.529 0.955 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 38' ' ' LYS . 0.5 OUTLIER -134.51 167.51 20.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 0.738 . . . . 0.0 109.295 -179.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.814 HG11 ' HB2' ' A' ' 21' ' ' ALA . 24.1 t -121.1 137.86 53.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' CE2' HG12 ' A' ' 101' ' ' ILE . 6.6 m-85 -85.55 57.5 4.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 111.015 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.9 t -133.23 97.69 4.05 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.992 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 108' ' ' TYR . . . -118.45 149.66 40.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 60.6 m -127.64 98.27 5.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.68 HD21 HG23 ' A' ' 112' ' ' THR . 0.1 OUTLIER -80.35 148.92 30.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.708 ' HA3' HD21 ' A' ' 131' ' ' LEU . . . -158.02 128.21 2.05 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.51 1.131 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.567 HD13 ' O ' ' A' ' 127' ' ' LYS . 1.6 tp -137.21 132.49 33.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HB ' ' HA ' ' A' ' 57' ' ' ASN . 0.2 OUTLIER -140.34 124.3 18.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -79.23 149.37 31.9 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -95.79 -32.84 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.143 . . . . 0.0 109.34 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 4.1 t -82.57 -61.71 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.492 ' O ' HG23 ' A' ' 56' ' ' THR . 0.0 OUTLIER -62.78 -13.83 37.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.341 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 53.92 25.91 32.15 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.497 1.123 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 54' ' ' LYS . 6.3 p -100.63 123.89 45.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 0.783 . . . . 0.0 110.398 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.81 ' CB ' HG13 ' A' ' 82' ' ' VAL . 2.7 m120 -95.43 145.5 25.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 49' ' ' LEU . 11.1 m -142.1 142.43 32.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.956 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 80' ' ' GLY . 2.5 p90 -140.68 136.35 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 110.982 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.588 ' CE1' ' HE3' ' A' ' 111' ' ' LYS . 44.3 t80 -129.63 150.81 50.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -134.64 141.52 46.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.502 HD22 ' HB2' ' A' ' 108' ' ' TYR . 7.3 tp -143.37 129.7 19.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.406 ' HA ' ' O ' ' A' ' 43' ' ' PHE . 24.2 mt-30 -152.39 139.5 19.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.035 ' C ' HD13 ' A' ' 65' ' ' LEU . 3.9 tt -109.91 129.14 55.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.035 HD13 ' C ' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -117.14 134.44 54.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.335 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.587 ' HB2' ' CE2' ' A' ' 73' ' ' TYR . 14.0 pt-20 -114.48 145.47 41.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' GLU . 16.5 t0 -60.02 132.44 53.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.593 1.183 . . . . 0.0 109.328 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -55.77 -18.78 9.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.412 ' O ' ' O ' ' A' ' 70' ' ' GLU . 1.0 OUTLIER -91.34 10.81 25.92 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' N ' ' O ' ' A' ' 67' ' ' ASP . 12.2 mt-10 40.67 92.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 47.7 t30 177.35 -37.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.487 ' C ' ' CD1' ' A' ' 73' ' ' TYR . 6.7 ttt180 -115.26 154.34 29.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.286 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' HB2' ' A' ' 66' ' ' GLU . 34.6 m-85 -145.4 160.16 41.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.973 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TRP . . . . . 0.779 ' CE3' HD13 ' A' ' 29' ' ' LEU . 6.9 m-90 -129.71 171.15 12.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 108.009 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.512 HD11 ' O ' ' A' ' 100' ' ' ALA . 6.8 mm -132.49 109.2 14.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.475 ' CE2' ' CG ' ' A' ' 24' ' ' ASP . 40.1 t80 -95.89 123.71 39.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.973 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.456 ' HD2' ' CD1' ' A' ' 107' ' ' LEU . 1.4 ptm180 -141.45 115.84 9.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 1.125 . . . . 0.0 110.274 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.4 t -122.5 141.19 51.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TRP . . . . . . . . . . . . . 44.6 p90 -133.08 -170.32 2.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 108.033 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.888 ' HA2' HG22 ' A' ' 86' ' ' ILE . . . 127.91 141.85 5.36 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.492 1.12 . . . . 0.0 110.941 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.686 ' HD3' HG21 ' A' ' 84' ' ' THR . 70.3 mtt180 -78.99 175.09 10.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 0.752 . . . . 0.0 110.323 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.81 HG13 ' CB ' ' A' ' 57' ' ' ASN . 0.4 OUTLIER -123.58 102.44 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.127 . . . . 0.0 109.28 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.9 8.52 56.9 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.747 ' C ' HG12 ' A' ' 85' ' ' VAL . 1.6 m -105.63 -77.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 110.366 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.747 HG12 ' C ' ' A' ' 84' ' ' THR . 0.1 OUTLIER 173.66 -52.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.888 HG22 ' HA2' ' A' ' 80' ' ' GLY . 58.1 mt -39.53 140.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 175.88 120.83 0.63 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.472 1.108 . . . . 0.0 110.951 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.3 m -176.59 165.6 2.61 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 0.758 . . . . 0.0 109.988 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -135.34 156.05 49.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 4.6 tptt -140.27 141.32 35.82 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' ' 74' ' ' TRP . 16.0 tp -132.18 143.45 49.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -142.68 148.86 38.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . 0.499 ' HA ' ' CD1' ' A' ' 74' ' ' TRP . 4.8 pm0 -95.27 143.61 26.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' MET . . . . . 0.495 ' HG3' ' CB ' ' A' ' 100' ' ' ALA . 24.0 mmm -111.35 146.47 34.67 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -57.95 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.447 1.762 . . . . 0.0 111.001 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.66 154.9 24.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.564 1.165 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.577 ' HG3' ' CE2' ' A' ' 73' ' ' TYR . 0.0 OUTLIER -52.04 -48.98 64.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 179.942 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -58.49 -55.37 35.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.278 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -46.65 -26.52 0.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 109.271 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.512 ' O ' HD11 ' A' ' 75' ' ' ILE . . . -81.96 -48.06 11.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.586 HG12 ' CE2' ' A' ' 43' ' ' PHE . 4.2 mt -60.98 -56.51 17.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -38.79 -54.03 1.63 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 110.365 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.55 -51.38 70.1 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.552 1.158 . . . . 0.0 109.627 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.631 ' HB2' HD12 ' A' ' 64' ' ' LEU . 63.8 t80 -58.62 -30.64 67.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.433 ' N ' ' O ' ' A' ' 101' ' ' ILE . 0.9 OUTLIER -79.58 -36.58 37.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -78.18 -47.67 17.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.274 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.456 ' CD1' ' HD2' ' A' ' 77' ' ' ARG . 10.7 mt -49.2 -60.12 3.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.502 ' HB2' HD22 ' A' ' 62' ' ' LEU . 68.1 t80 -62.22 -10.23 10.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 114' ' ' ASN . 36.8 tt0 -97.2 -19.93 18.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.12 . . . . 0.0 110.288 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.431 ' HG2' ' O ' ' A' ' 107' ' ' LEU . 3.4 pt-20 -78.82 -31.88 45.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.242 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.588 ' HE3' ' CE1' ' A' ' 60' ' ' TYR . 12.8 mmtt -77.89 -68.26 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.68 HG23 HD21 ' A' ' 47' ' ' LEU . 30.1 p -64.04 -29.48 70.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.383 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.4 ' CA ' ' O ' ' A' ' 109' ' ' GLU . . . 88.97 -19.23 39.41 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.982 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.597 ' OD1' ' CE1' ' A' ' 121' ' ' PHE . 0.1 OUTLIER -94.92 161.42 14.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.359 179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.576 ' HB3' ' HB2' ' A' ' 118' ' ' SER . . . -73.75 141.44 46.31 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.26 -46.81 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.166 . . . . 0.0 107.991 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -100.58 61.86 1.03 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.557 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.576 ' HB2' ' HB3' ' A' ' 115' ' ' ALA . 9.4 t -104.5 171.48 7.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.025 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -72.01 -68.83 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -114.71 171.0 7.91 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.597 ' CE1' ' OD1' ' A' ' 114' ' ' ASN . 61.7 t80 -117.47 117.46 29.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 110.97 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 15.2 m -96.07 106.6 18.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.4 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.31 93.08 0.45 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -82.69 167.45 29.78 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.5 ' O ' ' CB ' ' A' ' 126' ' ' LYS . 18.3 Cg_endo -75.0 121.76 6.78 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.533 1.807 . . . . 0.0 110.996 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.505 ' O ' HD22 ' A' ' 49' ' ' LEU . 21.6 mtmt 87.45 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.567 ' O ' HD13 ' A' ' 49' ' ' LEU . 31.2 mmtm -48.11 135.71 12.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 111' ' ' LYS . 80.3 m-85 -73.61 159.52 32.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 111.018 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . 0.861 ' CE1' HD23 ' A' ' 131' ' ' LEU . 6.5 p90 -140.94 163.64 41.22 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 118.01 5.12 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.509 1.794 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.861 HD23 ' CE1' ' A' ' 129' ' ' TYR . 75.5 mt -64.49 -66.21 0.57 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -81.0 125.99 30.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 2.7 mp -122.07 -80.2 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 2.5 t 72.4 105.41 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.973 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLY . . . . . . . . . . . . . . . 117.91 144.92 7.79 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 172.21 16.81 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.481 1.78 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' SER . . . . . . . . . . . . . 84.1 p -160.73 156.65 25.68 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' SER . . . . . . . . . . . . . 23.1 p 50.47 82.57 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 110.025 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.107 . . . . 0.0 110.998 -179.984 . . . . . . . . 0 0 . 1 stop_ save_